N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide

C15H16ClN3O2 — CID 103293346

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C15H16ClN3O2/c1-17-13-6-7-18-8-11(13)15(20)19-9-10-12(16)4-3-5-14(10)21-2/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyILOBPRORADFNBR-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.72
Rot. Bonds5

About N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide

N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide (PubChem CID 103293346) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
PubChem CID103293346
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C15H16ClN3O2/c1-17-13-6-7-18-8-11(13)15(20)19-9-10-12(16)4-3-5-14(10)21-2/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyILOBPRORADFNBR-UHFFFAOYSA-N
XLogP2.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 103292717
N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113434216
4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 103293340
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide
CID 103292678
N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107037030
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 103293349
N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81245012
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81240302

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide (CID 103293346) is N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)NCc1c(Cl)cccc1OC.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is ILOBPRORADFNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-17-13-6-7-18-8-11(13)15(20)19-9-10-12(16)4-3-5-14(10)21-2/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 103293346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).