N-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C22H22N4O2 — CID 59374140

IUPACN-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C22H22N4O2/c27-21(26-16-6-1-2-7-16)19-8-5-15-24-22(19)28-18-12-10-17(11-13-18)25-20-9-3-4-14-23-20/h3-5,8-16H,1-2,6-7H2,(H,23,25)(H,26,27)
InChIKeyJBVAQPPXSFEMJF-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.68
Rot. Bonds6

About N-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374140) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374140
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C22H22N4O2/c27-21(26-16-6-1-2-7-16)19-8-5-15-24-22(19)28-18-12-10-17(11-13-18)25-20-9-3-4-14-23-20/h3-5,8-16H,1-2,6-7H2,(H,23,25)(H,26,27)
InChIKeyJBVAQPPXSFEMJF-UHFFFAOYSA-N
XLogP4.68
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

BTK inhibitor 16 [PMID: 30122225]
CID 122513214
N-(4-phenoxyphenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
CID 16040289
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-(4-phenoxy-phenoxy)-nicotinamide
CID 118038535
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
2-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10526964
N,N-dimethyl-2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10552132
2-[3-[4-[2-(2,2-dimethylpropoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10647341
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10787790
6-amino-5-methyl-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 71544354

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374140) is N-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is O=C(NC1CCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is JBVAQPPXSFEMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(26-16-6-1-2-7-16)19-8-5-15-24-22(19)28-18-12-10-17(11-13-18)25-20-9-3-4-14-23-20/h3-5,8-16H,1-2,6-7H2,(H,23,25)(H,26,27).
What are the key properties of N-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).