2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide

C14H16N4O2 — CID 61014190

IUPAC2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide
SMILESCOc1ccc(N)cc1CNc1cc(C(N)=O)ccn1
InChIInChI=1S/C14H16N4O2/c1-20-12-3-2-11(15)6-10(12)8-18-13-7-9(14(16)19)4-5-17-13/h2-7H,8,15H2,1H3,(H2,16,19)(H,17,18)
InChIKeyRUPFZXPCCBYQPU-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.38
Rot. Bonds5

About 2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide

2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide (PubChem CID 61014190) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide
PubChem CID61014190
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide
SMILESCOc1ccc(N)cc1CNc1cc(C(N)=O)ccn1
InChIInChI=1S/C14H16N4O2/c1-20-12-3-2-11(15)6-10(12)8-18-13-7-9(14(16)19)4-5-17-13/h2-7H,8,15H2,1H3,(H2,16,19)(H,17,18)
InChIKeyRUPFZXPCCBYQPU-UHFFFAOYSA-N
XLogP1.38
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine
CID 61014430
2-[(5-amino-2-methoxyphenyl)methylamino]benzamide
CID 61015082
N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 104669190
N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240730
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109171161
2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109170837
2-(2-hydroxypropylamino)pyridine-4-carboxamide
CID 130671464
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171137
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
2-(methylamino)pyridine-4-carboxamide
CID 45084294
N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170859

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of 2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide (CID 61014190) is 2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for 2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide is COc1ccc(N)cc1CNc1cc(C(N)=O)ccn1.
What is the InChIKey of 2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is RUPFZXPCCBYQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-12-3-2-11(15)6-10(12)8-18-13-7-9(14(16)19)4-5-17-13/h2-7H,8,15H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide?
2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 61014190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).