2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide

C16H17Cl2N3O3S — CID 66877959

IUPAC2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C16H17Cl2N3O3S/c1-9(2)25(23,24)14-4-3-11(17)5-10(14)7-21-16(22)13-6-12(18)8-20-15(13)19/h3-6,8-9H,7H2,1-2H3,(H2,19,20)(H,21,22)
InChIKeyNZMPMLQYWCLGFE-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.08
Rot. Bonds5

About 2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide

2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 66877959) has the molecular formula C16H17Cl2N3O3S and a molecular weight of 402.30 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
PubChem CID66877959
Molecular FormulaC16H17Cl2N3O3S
Molecular Weight402.30 g/mol
Exact Mass401.04
IUPAC Name2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C16H17Cl2N3O3S/c1-9(2)25(23,24)14-4-3-11(17)5-10(14)7-21-16(22)13-6-12(18)8-20-15(13)19/h3-6,8-9H,7H2,1-2H3,(H2,19,20)(H,21,22)
InChIKeyNZMPMLQYWCLGFE-UHFFFAOYSA-N
XLogP3.08
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride
CID 66877100
2-amino-3,5-dibromo-N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-4-methylbenzamide
CID 118042864
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone
CID 65131200
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166
propan-2-yl 2-amino-5-chloropyridine-3-carboxylate
CID 133055462
2,4-dichloro-1-propan-2-ylsulfonylbenzene
CID 22953661
4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one
CID 116553290
2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
CID 82741526
3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651292
N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide
CID 39932239
2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride
CID 46741538

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide (CID 66877959) is 2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide is CC(C)S(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)cnc1N.
What is the InChIKey of 2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is NZMPMLQYWCLGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3S/c1-9(2)25(23,24)14-4-3-11(17)5-10(14)7-21-16(22)13-6-12(18)8-20-15(13)19/h3-6,8-9H,7H2,1-2H3,(H2,19,20)(H,21,22).
What are the key properties of 2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide?
2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 402.30 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(5-chloro-2-propan-2-ylsulfonylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66877959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).