2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide

C19H14ClN5O3 — CID 90457383

IUPAC2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCNC(=O)c1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C19H14ClN5O3/c1-21-18(26)10-7-14-17(22-9-10)25-16(24-14)12-8-11(4-5-13(12)20)23-19(27)15-3-2-6-28-15/h2-9H,1H3,(H,21,26)(H,23,27)(H,22,24,25)
InChIKeyQEKZCIQVGMFRJB-UHFFFAOYSA-N
MW395.81 g/mol
LogP3.48
Rot. Bonds4

About 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide

2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 90457383) has the molecular formula C19H14ClN5O3 and a molecular weight of 395.81 g/mol. Its IUPAC name is 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID90457383
Molecular FormulaC19H14ClN5O3
Molecular Weight395.81 g/mol
Exact Mass395.08
IUPAC Name2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCNC(=O)c1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C19H14ClN5O3/c1-21-18(26)10-7-14-17(22-9-10)25-16(24-14)12-8-11(4-5-13(12)20)23-19(27)15-3-2-6-28-15/h2-9H,1H3,(H,21,26)(H,23,27)(H,22,24,25)
InChIKeyQEKZCIQVGMFRJB-UHFFFAOYSA-N
XLogP3.48
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 85472746
N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide
CID 90412056
N-[3-[6-[4-(carbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide
CID 85472624
N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 123153716
N-[4-chloro-3-[6-[4-(cyclopropylcarbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 85472876
N-[4-chloro-3-[6-[2-fluoro-6-(2-methoxyethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 85473113
N-[4-chloro-3-[6-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 85472229
1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea
CID 90403490
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide
CID 85471839
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
CID 90403734
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 90403536
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 90403510

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 90457383) is 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide is CNC(=O)c1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)[nH]c2c1.
What is the InChIKey of 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QEKZCIQVGMFRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O3/c1-21-18(26)10-7-14-17(22-9-10)25-16(24-14)12-8-11(4-5-13(12)20)23-19(27)15-3-2-6-28-15/h2-9H,1H3,(H,21,26)(H,23,27)(H,22,24,25).
What are the key properties of 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide?
2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 395.81 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 90457383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).