5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide

C10H15ClN4O3S — CID 106332653

IUPAC5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C10H15ClN4O3S/c1-19(17,18)15-4-2-3-13-10(16)8-5-7(12)6-14-9(8)11/h5-6,15H,2-4,12H2,1H3,(H,13,16)
InChIKeyBCOIEMOPZJLESM-UHFFFAOYSA-N
MW306.78 g/mol
LogP-0.01
Rot. Bonds6

About 5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide

5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide (PubChem CID 106332653) has the molecular formula C10H15ClN4O3S and a molecular weight of 306.78 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
PubChem CID106332653
Molecular FormulaC10H15ClN4O3S
Molecular Weight306.78 g/mol
Exact Mass306.06
IUPAC Name5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C10H15ClN4O3S/c1-19(17,18)15-4-2-3-13-10(16)8-5-7(12)6-14-9(8)11/h5-6,15H,2-4,12H2,1H3,(H,13,16)
InChIKeyBCOIEMOPZJLESM-UHFFFAOYSA-N
XLogP-0.01
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106340809
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-3-carboxamide
CID 106333765
ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate
CID 114045972
5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 106139343
2-chloro-N-(3-methylsulfonylpropyl)-5-nitropyridine-3-carboxamide
CID 103803706
methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate
CID 114046104
5-amino-2-chloro-N-(2-prop-2-enylsulfanylethyl)pyridine-3-carboxamide
CID 106425075
6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
CID 114175964
5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
CID 114045919
N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000055
5-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
CID 106340836
N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide
CID 106342407

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide (CID 106332653) is 5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide is CS(=O)(=O)NCCCNC(=O)c1cc(N)cnc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide?
The InChIKey is BCOIEMOPZJLESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O3S/c1-19(17,18)15-4-2-3-13-10(16)8-5-7(12)6-14-9(8)11/h5-6,15H,2-4,12H2,1H3,(H,13,16).
What are the key properties of 5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide?
5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide has a molecular weight of 306.78 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 106332653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).