2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide

C17H18ClN5O — CID 90403020

IUPAC2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
SMILESCc1cnc2nc(-c3cc(NC(=O)C(C)(C)N)ccc3Cl)[nH]c2c1
InChIInChI=1S/C17H18ClN5O/c1-9-6-13-15(20-8-9)23-14(22-13)11-7-10(4-5-12(11)18)21-16(24)17(2,3)19/h4-8H,19H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyBUVBTPQAFNVSTK-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.26
Rot. Bonds3

About 2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide

2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide (PubChem CID 90403020) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
PubChem CID90403020
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
SMILESCc1cnc2nc(-c3cc(NC(=O)C(C)(C)N)ccc3Cl)[nH]c2c1
InChIInChI=1S/C17H18ClN5O/c1-9-6-13-15(20-8-9)23-14(22-13)11-7-10(4-5-12(11)18)21-16(24)17(2,3)19/h4-8H,19H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyBUVBTPQAFNVSTK-UHFFFAOYSA-N
XLogP3.26
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide (CID 90403020) is 2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide is Cc1cnc2nc(-c3cc(NC(=O)C(C)(C)N)ccc3Cl)[nH]c2c1.
What is the InChIKey of 2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is BUVBTPQAFNVSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-9-6-13-15(20-8-9)23-14(22-13)11-7-10(4-5-12(11)18)21-16(24)17(2,3)19/h4-8H,19H2,1-3H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide?
2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 343.82 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 90403020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).