N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide

C16H18ClN3O2 — CID 122181200

IUPACN-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide
SMILESCOc1ccc(Cl)c(-c2ccc(NC(=O)C(C)C)nc2N)c1
InChIInChI=1S/C16H18ClN3O2/c1-9(2)16(21)20-14-7-5-11(15(18)19-14)12-8-10(22-3)4-6-13(12)17/h4-9H,1-3H3,(H3,18,19,20,21)
InChIKeyHWYLXBBMYUZNFH-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.59
Rot. Bonds4

About N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide

N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide (PubChem CID 122181200) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide
PubChem CID122181200
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide
SMILESCOc1ccc(Cl)c(-c2ccc(NC(=O)C(C)C)nc2N)c1
InChIInChI=1S/C16H18ClN3O2/c1-9(2)16(21)20-14-7-5-11(15(18)19-14)12-8-10(22-3)4-6-13(12)17/h4-9H,1-3H3,(H3,18,19,20,21)
InChIKeyHWYLXBBMYUZNFH-UHFFFAOYSA-N
XLogP3.59
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
CID 58487144
2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
CID 53227485
2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 27830567
N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 25155703
2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide
CID 14162077
2-(2-chloro-5-methoxyphenyl)-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 86679847
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 73254656
N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide
CID 71111427
N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119420969
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033749
5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methoxyphenyl)-1H-pyrrole-3-carboxylic acid
CID 141428963
3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53227480

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide (CID 122181200) is N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide is COc1ccc(Cl)c(-c2ccc(NC(=O)C(C)C)nc2N)c1.
What is the InChIKey of N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide?
The InChIKey is HWYLXBBMYUZNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-9(2)16(21)20-14-7-5-11(15(18)19-14)12-8-10(22-3)4-6-13(12)17/h4-9H,1-3H3,(H3,18,19,20,21).
What are the key properties of N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide?
N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide has a molecular weight of 319.79 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 122181200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).