2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide

C16H19N3O2 — CID 61166764

IUPAC2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide
SMILESCc1ccc(OCC(C)Nc2ncccc2C(N)=O)cc1
InChIInChI=1S/C16H19N3O2/c1-11-5-7-13(8-6-11)21-10-12(2)19-16-14(15(17)20)4-3-9-18-16/h3-9,12H,10H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyXYDMYOQPRNLAGK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.37
Rot. Bonds6

About 2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide

2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide (PubChem CID 61166764) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide
PubChem CID61166764
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide
SMILESCc1ccc(OCC(C)Nc2ncccc2C(N)=O)cc1
InChIInChI=1S/C16H19N3O2/c1-11-5-7-13(8-6-11)21-10-12(2)19-16-14(15(17)20)4-3-9-18-16/h3-9,12H,10H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyXYDMYOQPRNLAGK-UHFFFAOYSA-N
XLogP2.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 115643931
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 61360383
2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxamide
CID 60726854
2-(2-phenoxyethylamino)pyridine-3-carboxamide
CID 34013927
2-(octan-4-ylamino)pyridine-3-carboxamide
CID 113249998
4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81065361
N-[1-(4-methylphenoxy)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 103911732
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
methyl 2-[(3-carbamothioyl-2-pyridinyl)amino]propanoate
CID 61497791
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide (CID 61166764) is 2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide is Cc1ccc(OCC(C)Nc2ncccc2C(N)=O)cc1.
What is the InChIKey of 2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide?
The InChIKey is XYDMYOQPRNLAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-5-7-13(8-6-11)21-10-12(2)19-16-14(15(17)20)4-3-9-18-16/h3-9,12H,10H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide?
2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide is sourced from PubChem (CID 61166764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).