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

C27H31N7O — CID 155700927

IUPACN-[(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
SMILES[H]/N=C(C(/C)=C/C=C\C(=C)NC(=O)c1cc2c(cn1)CCN(c1ccccn1)C2)\N1/C(=N/[H])CC[C@H]1C
InChIInChI=1S/C27H31N7O/c1-18(26(29)34-20(3)10-11-24(34)28)7-6-8-19(2)32-27(35)23-15-22-17-33(14-12-21(22)16-31-23)25-9-4-5-13-30-25/h4-9,13,15-16,20,28-29H,2,10-12,14,17H2,1,3H3,(H,32,35)/b8-6-,18-7+,28-24+,29-26-/t20-/m1/s1
InChIKeyIGBZJAYDPPQAIN-ASIWUONOSA-N
MW469.59 g/mol
LogP4.22
Rot. Bonds6

About 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

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 (PubChem CID 155700927) has the molecular formula C27H31N7O and a molecular weight of 469.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID155700927
Molecular FormulaC27H31N7O
Molecular Weight469.59 g/mol
Exact Mass469.26
IUPAC NameN-[(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
SMILES[H]/N=C(C(/C)=C/C=C\C(=C)NC(=O)c1cc2c(cn1)CCN(c1ccccn1)C2)\N1/C(=N/[H])CC[C@H]1C
InChIInChI=1S/C27H31N7O/c1-18(26(29)34-20(3)10-11-24(34)28)7-6-8-19(2)32-27(35)23-15-22-17-33(14-12-21(22)16-31-23)25-9-4-5-13-30-25/h4-9,13,15-16,20,28-29H,2,10-12,14,17H2,1,3H3,(H,32,35)/b8-6-,18-7+,28-24+,29-26-/t20-/m1/s1
InChIKeyIGBZJAYDPPQAIN-ASIWUONOSA-N
XLogP4.22
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide
CID 163469967
6-fluoro-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 155157865
N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47293347
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350716
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide;hydrochloride
CID 141068267
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 3230377
N-(3-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286617

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [H]/N=C(C(/C)=C/C=C\C(=C)NC(=O)c1cc2c(cn1)CCN(c1ccccn1)C2)\N1/C(=N/[H])CC[C@H]1C.
What is the InChIKey of 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?
The InChIKey is IGBZJAYDPPQAIN-ASIWUONOSA-N. The full InChI is InChI=1S/C27H31N7O/c1-18(26(29)34-20(3)10-11-24(34)28)7-6-8-19(2)32-27(35)23-15-22-17-33(14-12-21(22)16-31-23)25-9-4-5-13-30-25/h4-9,13,15-16,20,28-29H,2,10-12,14,17H2,1,3H3,(H,32,35)/b8-6-,18-7+,28-24+,29-26-/t20-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 469.59 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155700927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).