4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide

C14H14ClN3O2 — CID 103293340

IUPAC4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cc(N)ccn1
InChIInChI=1S/C14H14ClN3O2/c1-20-13-4-2-3-11(15)10(13)8-18-14(19)12-7-9(16)5-6-17-12/h2-7H,8H2,1H3,(H2,16,17)(H,18,19)
InChIKeyKCAPDNBFNGRYDN-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.26
Rot. Bonds4

About 4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide

4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 103293340) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID103293340
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cc(N)ccn1
InChIInChI=1S/C14H14ClN3O2/c1-20-13-4-2-3-11(15)10(13)8-18-14(19)12-7-9(16)5-6-17-12/h2-7H,8H2,1H3,(H2,16,17)(H,18,19)
InChIKeyKCAPDNBFNGRYDN-UHFFFAOYSA-N
XLogP2.26
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 103293349
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 103292671
2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 103292356
N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378745
4-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 106262005
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
CID 107037038
N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
CID 103292680
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698
4-amino-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 55041968

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 103293340) is 4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1cccc(Cl)c1CNC(=O)c1cc(N)ccn1.
What is the InChIKey of 4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is KCAPDNBFNGRYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-20-13-4-2-3-11(15)10(13)8-18-14(19)12-7-9(16)5-6-17-12/h2-7H,8H2,1H3,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 103293340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).