2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide

C19H22N4O3 — CID 118070979

IUPAC2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide
SMILESCCOc1ccncc1NC(=O)c1ccnc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C19H22N4O3/c1-2-26-16-8-9-20-12-15(16)22-19(25)14-7-10-21-17(11-14)23-18(24)13-5-3-4-6-13/h7-13H,2-6H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyOVGGMGOSCMWAHF-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.26
Rot. Bonds6

About 2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide

2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 118070979) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide
PubChem CID118070979
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide
SMILESCCOc1ccncc1NC(=O)c1ccnc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C19H22N4O3/c1-2-26-16-8-9-20-12-15(16)22-19(25)14-7-10-21-17(11-14)23-18(24)13-5-3-4-6-13/h7-13H,2-6H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyOVGGMGOSCMWAHF-UHFFFAOYSA-N
XLogP3.26
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide (CID 118070979) is 2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide is CCOc1ccncc1NC(=O)c1ccnc(NC(=O)C2CCCC2)c1.
What is the InChIKey of 2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is OVGGMGOSCMWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-26-16-8-9-20-12-15(16)22-19(25)14-7-10-21-17(11-14)23-18(24)13-5-3-4-6-13/h7-13H,2-6H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide?
2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 118070979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).