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

C21H22N4O3 — CID 59373984

IUPACN-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-15-5-14-23-20(26)18-6-4-13-24-21(18)28-17-10-8-16(9-11-17)25-19-7-2-3-12-22-19/h2-4,6-13H,5,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyRYUZTHJXHAZFEY-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.78
Rot. Bonds9

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

N-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59373984) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59373984
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-15-5-14-23-20(26)18-6-4-13-24-21(18)28-17-10-8-16(9-11-17)25-19-7-2-3-12-22-19/h2-4,6-13H,5,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyRYUZTHJXHAZFEY-UHFFFAOYSA-N
XLogP3.78
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenoxyphenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
CID 16040289
5-Chloro-2-ethyl-9-methyl-13-(phenoxymethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470671
8-(3-Aminophenyloxy)methyl-2-chloro-5,11-dihydro-11-ethyl-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
CID 470687
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
5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10574245
2-[3-[4-[2-(2,2-dimethylpropoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10647341

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59373984) is N-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is COCCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is RYUZTHJXHAZFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-15-5-14-23-20(26)18-6-4-13-24-21(18)28-17-10-8-16(9-11-17)25-19-7-2-3-12-22-19/h2-4,6-13H,5,14-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59373984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).