N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide

C29H37N7O2 — CID 155700385

IUPACN-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
SMILESC=C(/C=C\C=C(/C)c1nnc2n1C(C)(C)CC2)NC(=O)c1cc2c(cn1)CCN(CC(=O)N1CCCC1)C2
InChIInChI=1S/C29H37N7O2/c1-20(27-33-32-25-10-12-29(3,4)36(25)27)8-7-9-21(2)31-28(38)24-16-23-18-34(15-11-22(23)17-30-24)19-26(37)35-13-5-6-14-35/h7-9,16-17H,2,5-6,10-15,18-19H2,1,3-4H3,(H,31,38)/b9-7-,20-8+
InChIKeyDBKIVHZBXBLTJC-IYINNFOMSA-N
MW515.66 g/mol
LogP3.24
Rot. Bonds7

About N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide

N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide (PubChem CID 155700385) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
PubChem CID155700385
Molecular FormulaC29H37N7O2
Molecular Weight515.66 g/mol
Exact Mass515.30
IUPAC NameN-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
SMILESC=C(/C=C\C=C(/C)c1nnc2n1C(C)(C)CC2)NC(=O)c1cc2c(cn1)CCN(CC(=O)N1CCCC1)C2
InChIInChI=1S/C29H37N7O2/c1-20(27-33-32-25-10-12-29(3,4)36(25)27)8-7-9-21(2)31-28(38)24-16-23-18-34(15-11-22(23)17-30-24)19-26(37)35-13-5-6-14-35/h7-9,16-17H,2,5-6,10-15,18-19H2,1,3-4H3,(H,31,38)/b9-7-,20-8+
InChIKeyDBKIVHZBXBLTJC-IYINNFOMSA-N
XLogP3.24
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3Z,5E)-6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 155700837
N-[(3Z,5E)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-hydroxy-4-methylpentanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide;ethane
CID 155700923
2-N-ethyl-7-N-[(4Z,6E)-2-methyl-7-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)octa-2,4,6-trien-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
CID 155700682
2-methoxyethyl 7-[[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 155157737
N-[(3Z,5E)-7-imino-7-[(5R)-2-imino-5-methylpyrrolidin-1-yl]-6-methylhepta-1,3,5-trien-2-yl]-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 155700927
N-[(3Z,5E)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-methoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide;propane
CID 155700582
1-(azetidin-1-yl)-2-(6-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 138530494
1-(azetidin-1-yl)-2-(1,1-dimethyl-3,4-dihydroisoquinolin-2-yl)ethanone
CID 122159359
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 163304981
6-fluoro-N-[(3Z,5E)-7-imino-7-(2-iminopyrrolidin-1-yl)-6-methylhepta-1,3,5-trien-2-yl]-2-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 155700636
2-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 113363743
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 71892135

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The IUPAC name of N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide (CID 155700385) is N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide is C=C(/C=C\C=C(/C)c1nnc2n1C(C)(C)CC2)NC(=O)c1cc2c(cn1)CCN(CC(=O)N1CCCC1)C2.
What is the InChIKey of N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The InChIKey is DBKIVHZBXBLTJC-IYINNFOMSA-N. The full InChI is InChI=1S/C29H37N7O2/c1-20(27-33-32-25-10-12-29(3,4)36(25)27)8-7-9-21(2)31-28(38)24-16-23-18-34(15-11-22(23)17-30-24)19-26(37)35-13-5-6-14-35/h7-9,16-17H,2,5-6,10-15,18-19H2,1,3-4H3,(H,31,38)/b9-7-,20-8+.
What are the key properties of N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 155700385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).