N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

C25H29N5O3 — CID 68753105

IUPACN-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(CN1CCOCC1)N1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cn2)CC1
InChIInChI=1S/C25H29N5O3/c31-24(18-28-11-13-33-14-12-28)29-9-7-19(8-10-29)23-6-5-22(15-26-23)27-25(32)30-16-20-3-1-2-4-21(20)17-30/h1-7,15H,8-14,16-18H2,(H,27,32)
InChIKeyOZWGZOMPEMDYSC-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.58
Rot. Bonds4

About N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 68753105) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID68753105
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(CN1CCOCC1)N1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cn2)CC1
InChIInChI=1S/C25H29N5O3/c31-24(18-28-11-13-33-14-12-28)29-9-7-19(8-10-29)23-6-5-22(15-26-23)27-25(32)30-16-20-3-1-2-4-21(20)17-30/h1-7,15H,8-14,16-18H2,(H,27,32)
InChIKeyOZWGZOMPEMDYSC-UHFFFAOYSA-N
XLogP2.58
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide with MolForge

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Related Compounds

AT-Iap
CID 70980530
2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone
CID 73508005
2-[(2R,5R)-2-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone
CID 118557732
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 663728
N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848800
N-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848908
1-(3,3-Diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea
CID 16735430
1-(4-(Morpholin-4-yl)butyl)-3-(4-pyridin-3-ylphenyl)urea
CID 46830772
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl)-2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]ethanone
CID 70981017
(6R)-4-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-methylmorpholin-3-one
CID 73673152
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]ethanone
CID 90231909
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 90231985

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (CID 68753105) is N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is O=C(CN1CCOCC1)N1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cn2)CC1.
What is the InChIKey of N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is OZWGZOMPEMDYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c31-24(18-28-11-13-33-14-12-28)29-9-7-19(8-10-29)23-6-5-22(15-26-23)27-25(32)30-16-20-3-1-2-4-21(20)17-30/h1-7,15H,8-14,16-18H2,(H,27,32).
What are the key properties of N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 68753105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).