N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide

C16H19N5O3S — CID 72890935

IUPACN-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2cnc(-c3cccnc3)nc2)CC1
InChIInChI=1S/C16H19N5O3S/c1-25(23,24)20-14-4-7-21(8-5-14)16(22)13-10-18-15(19-11-13)12-3-2-6-17-9-12/h2-3,6,9-11,14,20H,4-5,7-8H2,1H3
InChIKeyGGBRBMQZJPQYPK-UHFFFAOYSA-N
MW361.43 g/mol
LogP0.69
Rot. Bonds4

About N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide

N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 72890935) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID72890935
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2cnc(-c3cccnc3)nc2)CC1
InChIInChI=1S/C16H19N5O3S/c1-25(23,24)20-14-4-7-21(8-5-14)16(22)13-10-18-15(19-11-13)12-3-2-6-17-9-12/h2-3,6,9-11,14,20H,4-5,7-8H2,1H3
InChIKeyGGBRBMQZJPQYPK-UHFFFAOYSA-N
XLogP0.69
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 56903217
N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 107518487
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 156605241
N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118768764
N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 91829899
[4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 74249829
N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118767374
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108567177
N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 135110737
N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98897052
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108564444
N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 106550944

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide (CID 72890935) is N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)c2cnc(-c3cccnc3)nc2)CC1.
What is the InChIKey of N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is GGBRBMQZJPQYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-25(23,24)20-14-4-7-21(8-5-14)16(22)13-10-18-15(19-11-13)12-3-2-6-17-9-12/h2-3,6,9-11,14,20H,4-5,7-8H2,1H3.
What are the key properties of N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide?
N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 361.43 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 72890935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).