1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide

C21H22N4O2 — CID 16600536

IUPAC1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NC3CCOc4ccccc43)CC2)nc1
InChIInChI=1S/C21H22N4O2/c22-13-15-5-6-20(23-14-15)25-10-7-16(8-11-25)21(26)24-18-9-12-27-19-4-2-1-3-17(18)19/h1-6,14,16,18H,7-12H2,(H,24,26)
InChIKeyQVNLWADLCHABPZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.81
Rot. Bonds3

About 1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide (PubChem CID 16600536) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
PubChem CID16600536
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NC3CCOc4ccccc43)CC2)nc1
InChIInChI=1S/C21H22N4O2/c22-13-15-5-6-20(23-14-15)25-10-7-16(8-11-25)21(26)24-18-9-12-27-19-4-2-1-3-17(18)19/h1-6,14,16,18H,7-12H2,(H,24,26)
InChIKeyQVNLWADLCHABPZ-UHFFFAOYSA-N
XLogP2.81
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide (CID 16600536) is 1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)NC3CCOc4ccccc43)CC2)nc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide?
The InChIKey is QVNLWADLCHABPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c22-13-15-5-6-20(23-14-15)25-10-7-16(8-11-25)21(26)24-18-9-12-27-19-4-2-1-3-17(18)19/h1-6,14,16,18H,7-12H2,(H,24,26).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 16600536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).