N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

C19H18ClN5O4S — CID 131965432

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Cl)n2)cn1
InChIInChI=1S/C19H18ClN5O4S/c1-11(2)29-16-9-6-12(10-22-16)14-8-7-13(18(20)23-14)19(26)25-30(27,28)17-5-3-4-15(21)24-17/h3-11H,1-2H3,(H2,21,24)(H,25,26)
InChIKeyGYTILQOHIQQVPP-UHFFFAOYSA-N
MW447.90 g/mol
LogP2.68
Rot. Bonds6

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 131965432) has the molecular formula C19H18ClN5O4S and a molecular weight of 447.90 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID131965432
Molecular FormulaC19H18ClN5O4S
Molecular Weight447.90 g/mol
Exact Mass447.08
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Cl)n2)cn1
InChIInChI=1S/C19H18ClN5O4S/c1-11(2)29-16-9-6-12(10-22-16)14-8-7-13(18(20)23-14)19(26)25-30(27,28)17-5-3-4-15(21)24-17/h3-11H,1-2H3,(H2,21,24)(H,25,26)
InChIKeyGYTILQOHIQQVPP-UHFFFAOYSA-N
XLogP2.68
TPSA137.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.90
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250438
N-(6-aminopyridin-2-yl)sulfonyl-6-(6-propan-2-yloxypyridin-3-yl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250496
N-[6-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]pyridin-2-yl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250535
N-(6-aminopyridin-2-yl)sulfonyl-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxypyridin-3-yl)pyridine-3-carboxamide
CID 121250573
N-[[6-[1-(2-fluorophenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250839
N-(6-aminopyridin-2-yl)sulfonyl-6-(6-propan-2-yloxypyridin-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 121250894
N-(6-aminopyridin-2-yl)sulfonyl-6-(6-propan-2-yloxypyridin-3-yl)-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251030
N-(6-aminopyridin-2-yl)sulfonyl-6-[6-(trifluoromethyl)pyridin-3-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251095
2-(4,4-dimethylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonylpyridine-3-carboxamide
CID 121251165
N-[(6-amino-2-pyridyl)sulfonyl]-6-(3-fluoro-5-isobutoxy-phenyl)-4-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251306
N-(6-aminopyridin-2-yl)sulfonyl-6-[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251380
N-[(6-amino-2-pyridyl)sulfonyl]-2-chloro-6-(3-fluoro-5-isobutoxy-phenyl)pyridine-3-carboxamide
CID 121251411

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 131965432) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Cl)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is GYTILQOHIQQVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O4S/c1-11(2)29-16-9-6-12(10-22-16)14-8-7-13(18(20)23-14)19(26)25-30(27,28)17-5-3-4-15(21)24-17/h3-11H,1-2H3,(H2,21,24)(H,25,26).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 447.90 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 131965432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).