2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide

C30H40N6O3 — CID 71019840

IUPAC2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide
SMILESCc1cc(C(=O)NC2CC3CCCN(c4ccc(C(=O)N[C@H]5CCCN(C)C5)cn4)C3C2)c(C)cc1C(N)=O
InChIInChI=1S/C30H40N6O3/c1-18-13-25(19(2)12-24(18)28(31)37)30(39)34-23-14-20-6-4-11-36(26(20)15-23)27-9-8-21(16-32-27)29(38)33-22-7-5-10-35(3)17-22/h8-9,12-13,16,20,22-23,26H,4-7,10-11,14-15,17H2,1-3H3,(H2,31,37)(H,33,38)(H,34,39)/t20?,22-,23?,26?/m0/s1
InChIKeyFTMZGEBXMBOTSX-MRYMOMCNSA-N
MW532.69 g/mol
LogP2.80
Rot. Bonds6

About 2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide

2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide (PubChem CID 71019840) has the molecular formula C30H40N6O3 and a molecular weight of 532.69 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide
PubChem CID71019840
Molecular FormulaC30H40N6O3
Molecular Weight532.69 g/mol
Exact Mass532.32
IUPAC Name2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide
SMILESCc1cc(C(=O)NC2CC3CCCN(c4ccc(C(=O)N[C@H]5CCCN(C)C5)cn4)C3C2)c(C)cc1C(N)=O
InChIInChI=1S/C30H40N6O3/c1-18-13-25(19(2)12-24(18)28(31)37)30(39)34-23-14-20-6-4-11-36(26(20)15-23)27-9-8-21(16-32-27)29(38)33-22-7-5-10-35(3)17-22/h8-9,12-13,16,20,22-23,26H,4-7,10-11,14-15,17H2,1-3H3,(H2,31,37)(H,33,38)(H,34,39)/t20?,22-,23?,26?/m0/s1
InChIKeyFTMZGEBXMBOTSX-MRYMOMCNSA-N
XLogP2.80
TPSA120.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.69
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide 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

2,5-dimethyl-4-N-[2-[5-[(1-propan-2-ylpiperidin-3-yl)carbamoyl]-2-pyridinyl]-2-azabicyclo[5.2.0]nonan-5-yl]benzene-1,4-dicarboxamide
CID 71019729
2-butan-2-yloxy-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-5-methylbenzene-1,4-dicarboxamide
CID 71019844
4-N-[1-(5-acetyl-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-2-(cyclohexylamino)benzene-1,4-dicarboxamide
CID 70906173
2-[(4-aminocyclohexyl)amino]-4-N-[1-(5-carbamoyl-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide
CID 71019701
1-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-2-methyl-5-(4,4,4-trifluorobutan-2-ylamino)benzene-1,4-dicarboxamide
CID 71019640
4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-2-(propylamino)benzene-1,4-dicarboxamide
CID 70906597
2-(butylamino)-4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide
CID 70906635
2-(cyclobutylamino)-4-N-[1-[5-[[(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide
CID 143798004
6-[(1S,5R)-3-[(4-carbamoyl-2,5-dimethylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
CID 67404509
2-(cyclopropylmethylamino)-4-N-[1-[5-(4,4,4-trifluorobutanoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide
CID 70906620
2-[(4-hydroxycyclohexyl)amino]-4-N-[1-[5-[[(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide
CID 71019730
N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide
CID 71019858

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide (CID 71019840) is 2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide is Cc1cc(C(=O)NC2CC3CCCN(c4ccc(C(=O)N[C@H]5CCCN(C)C5)cn4)C3C2)c(C)cc1C(N)=O.
What is the InChIKey of 2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide?
The InChIKey is FTMZGEBXMBOTSX-MRYMOMCNSA-N. The full InChI is InChI=1S/C30H40N6O3/c1-18-13-25(19(2)12-24(18)28(31)37)30(39)34-23-14-20-6-4-11-36(26(20)15-23)27-9-8-21(16-32-27)29(38)33-22-7-5-10-35(3)17-22/h8-9,12-13,16,20,22-23,26H,4-7,10-11,14-15,17H2,1-3H3,(H2,31,37)(H,33,38)(H,34,39)/t20?,22-,23?,26?/m0/s1.
What are the key properties of 2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide?
2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide has a molecular weight of 532.69 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-[1-[5-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 71019840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).