6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide

C23H26N4O2 — CID 123744715

IUPAC6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide
SMILESO=C(NC1=NCCC(C(=O)Nc2cncc(-c3ccccc3)c2)C1)C1CCCC1
InChIInChI=1S/C23H26N4O2/c28-22(17-8-4-5-9-17)27-21-13-18(10-11-25-21)23(29)26-20-12-19(14-24-15-20)16-6-2-1-3-7-16/h1-3,6-7,12,14-15,17-18H,4-5,8-11,13H2,(H,26,29)(H,25,27,28)
InChIKeyLUBDKYNWRYNRED-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.80
Rot. Bonds4

About 6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide

6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide (PubChem CID 123744715) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide
PubChem CID123744715
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide
SMILESO=C(NC1=NCCC(C(=O)Nc2cncc(-c3ccccc3)c2)C1)C1CCCC1
InChIInChI=1S/C23H26N4O2/c28-22(17-8-4-5-9-17)27-21-13-18(10-11-25-21)23(29)26-20-12-19(14-24-15-20)16-6-2-1-3-7-16/h1-3,6-7,12,14-15,17-18H,4-5,8-11,13H2,(H,26,29)(H,25,27,28)
InChIKeyLUBDKYNWRYNRED-UHFFFAOYSA-N
XLogP3.80
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide
CID 110668538
ethane;N-(5-methyl-3-pyridinyl)cyclopropanecarboxamide
CID 144888872
(2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 167871127
N-(5-phenyl-3-pyridinyl)pyridine-2-carboxamide
CID 110742204
N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 66800936
5-phenyl-N-(5-phenyl-3-pyridinyl)pyridin-3-amine
CID 146533965
3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide
CID 110713731
N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137112134
N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137112192
N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137038184
N-[5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137014609
N-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137041256

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide?
The IUPAC name of 6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide (CID 123744715) is 6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide.
What is the SMILES notation for 6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide?
The canonical SMILES for 6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide is O=C(NC1=NCCC(C(=O)Nc2cncc(-c3ccccc3)c2)C1)C1CCCC1.
What is the InChIKey of 6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide?
The InChIKey is LUBDKYNWRYNRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(17-8-4-5-9-17)27-21-13-18(10-11-25-21)23(29)26-20-12-19(14-24-15-20)16-6-2-1-3-7-16/h1-3,6-7,12,14-15,17-18H,4-5,8-11,13H2,(H,26,29)(H,25,27,28).
What are the key properties of 6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide?
6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentanecarbonylamino)-N-(5-phenyl-3-pyridinyl)-2,3,4,5-tetrahydropyridine-4-carboxamide is sourced from PubChem (CID 123744715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).