N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide

C15H16N4O4S — CID 140582644

IUPACN-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc([C@H](CC(N)=O)NC(=O)c2ccncc2)ccn1
InChIInChI=1S/C15H16N4O4S/c1-24(22,23)14-8-11(4-7-18-14)12(9-13(16)20)19-15(21)10-2-5-17-6-3-10/h2-8,12H,9H2,1H3,(H2,16,20)(H,19,21)/t12-/m0/s1
InChIKeyKGVORZQSXAXHGQ-LBPRGKRZSA-N
MW348.38 g/mol
LogP0.23
Rot. Bonds6

About N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide

N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide (PubChem CID 140582644) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide
PubChem CID140582644
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC NameN-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc([C@H](CC(N)=O)NC(=O)c2ccncc2)ccn1
InChIInChI=1S/C15H16N4O4S/c1-24(22,23)14-8-11(4-7-18-14)12(9-13(16)20)19-15(21)10-2-5-17-6-3-10/h2-8,12H,9H2,1H3,(H2,16,20)(H,19,21)/t12-/m0/s1
InChIKeyKGVORZQSXAXHGQ-LBPRGKRZSA-N
XLogP0.23
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide (CID 140582644) is N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide is CS(=O)(=O)c1cc([C@H](CC(N)=O)NC(=O)c2ccncc2)ccn1.
What is the InChIKey of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide?
The InChIKey is KGVORZQSXAXHGQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-24(22,23)14-8-11(4-7-18-14)12(9-13(16)20)19-15(21)10-2-5-17-6-3-10/h2-8,12H,9H2,1H3,(H2,16,20)(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide?
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide is sourced from PubChem (CID 140582644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).