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

C19H18ClN5O2S — CID 145378992

IUPACN-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NSc3cccc(N)n3)c(Cl)n2)cn1
InChIInChI=1S/C19H18ClN5O2S/c1-11(2)27-16-9-6-12(10-22-16)14-8-7-13(18(20)23-14)19(26)25-28-17-5-3-4-15(21)24-17/h3-11H,1-2H3,(H2,21,24)(H,25,26)
InChIKeyIJZSNGYHIUEAMP-UHFFFAOYSA-N
MW415.91 g/mol
LogP4.00
Rot. Bonds6

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

N-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 145378992) has the molecular formula C19H18ClN5O2S and a molecular weight of 415.91 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID145378992
Molecular FormulaC19H18ClN5O2S
Molecular Weight415.91 g/mol
Exact Mass415.09
IUPAC NameN-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NSc3cccc(N)n3)c(Cl)n2)cn1
InChIInChI=1S/C19H18ClN5O2S/c1-11(2)27-16-9-6-12(10-22-16)14-8-7-13(18(20)23-14)19(26)25-28-17-5-3-4-15(21)24-17/h3-11H,1-2H3,(H2,21,24)(H,25,26)
InChIKeyIJZSNGYHIUEAMP-UHFFFAOYSA-N
XLogP4.00
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.91
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-aminopyridin-2-yl)sulfonyl-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxypyridin-3-yl)pyridine-3-carboxamide
CID 121250573
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-amino-2-pyridyl)sulfonyl]-2-chloro-6-(3-fluoro-5-isobutoxy-phenyl)pyridine-3-carboxamide
CID 121251411
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-pyridin-3-ylpropoxy)pyridine-3-carboxamide
CID 121251618
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide
CID 121251654
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 121251807
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-4-ylbutoxy)pyridine-3-carboxamide
CID 121251848
4-chloro-6-(3-fluoro-5-isobutoxy-phenyl)-N-[(6-nitro-2-pyridyl)sulfonyl]pyridine-3-carboxamide
CID 121251944
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide
CID 121252006
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-pyridin-2-ylpropoxy)pyridine-3-carboxamide
CID 121252068

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 145378992) is N-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NSc3cccc(N)n3)c(Cl)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is IJZSNGYHIUEAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2S/c1-11(2)27-16-9-6-12(10-22-16)14-8-7-13(18(20)23-14)19(26)25-28-17-5-3-4-15(21)24-17/h3-11H,1-2H3,(H2,21,24)(H,25,26).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 415.91 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfanyl]-2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 145378992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).