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

C21H20N4O2 — CID 59374187

IUPACN-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H20N4O2/c26-20(24-14-15-6-7-15)18-4-3-13-23-21(18)27-17-10-8-16(9-11-17)25-19-5-1-2-12-22-19/h1-5,8-13,15H,6-7,14H2,(H,22,25)(H,24,26)
InChIKeyQBHHPAVYYCLELV-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.15
Rot. Bonds7

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

N-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374187) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374187
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H20N4O2/c26-20(24-14-15-6-7-15)18-4-3-13-23-21(18)27-17-10-8-16(9-11-17)25-19-5-1-2-12-22-19/h1-5,8-13,15H,6-7,14H2,(H,22,25)(H,24,26)
InChIKeyQBHHPAVYYCLELV-UHFFFAOYSA-N
XLogP4.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
6-amino-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]-phenyl]methylene]cyclohexyl]pyridine-3-carboxamide
CID 89462922

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374187) is N-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is O=C(NCC1CC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is QBHHPAVYYCLELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(24-14-15-6-7-15)18-4-3-13-23-21(18)27-17-10-8-16(9-11-17)25-19-5-1-2-12-22-19/h1-5,8-13,15H,6-7,14H2,(H,22,25)(H,24,26).
What are the key properties of N-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).