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

C28H35N5O3 — CID 70906597

IUPAC4-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
SMILESCCCNc1cc(C(=O)NC2CC3CCCN(c4ccc(C(=O)C5CC5)cn4)C3C2)ccc1C(N)=O
InChIInChI=1S/C28H35N5O3/c1-2-11-30-23-14-19(7-9-22(23)27(29)35)28(36)32-21-13-18-4-3-12-33(24(18)15-21)25-10-8-20(16-31-25)26(34)17-5-6-17/h7-10,14,16-18,21,24,30H,2-6,11-13,15H2,1H3,(H2,29,35)(H,32,36)
InChIKeyWEPMIXLRQRQNQQ-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.77
Rot. Bonds9

About 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

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 (PubChem CID 70906597) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID70906597
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name4-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
SMILESCCCNc1cc(C(=O)NC2CC3CCCN(c4ccc(C(=O)C5CC5)cn4)C3C2)ccc1C(N)=O
InChIInChI=1S/C28H35N5O3/c1-2-11-30-23-14-19(7-9-22(23)27(29)35)28(36)32-21-13-18-4-3-12-33(24(18)15-21)25-10-8-20(16-31-25)26(34)17-5-6-17/h7-10,14,16-18,21,24,30H,2-6,11-13,15H2,1H3,(H2,29,35)(H,32,36)
InChIKeyWEPMIXLRQRQNQQ-UHFFFAOYSA-N
XLogP3.77
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCNc1cc(C(=O)NC2CC3CCCN(c4ccc(C(=O)C5CC5)cn4)C3C2)ccc1C(N)=O.
What is the InChIKey of 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?
The InChIKey is WEPMIXLRQRQNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-2-11-30-23-14-19(7-9-22(23)27(29)35)28(36)32-21-13-18-4-3-12-33(24(18)15-21)25-10-8-20(16-31-25)26(34)17-5-6-17/h7-10,14,16-18,21,24,30H,2-6,11-13,15H2,1H3,(H2,29,35)(H,32,36).
What are the key properties of 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?
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 has a molecular weight of 489.62 g/mol, XLogP of 3.77, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70906597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).