2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide

C16H24N4O2S — CID 95633448

IUPAC2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCS[C@H](C)C(=O)NCC1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C16H24N4O2S/c1-11(23-2)16(22)19-10-12-5-8-20(9-6-12)15-13(14(17)21)4-3-7-18-15/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H2,17,21)(H,19,22)/t11-/m1/s1
InChIKeyMHVNAKKDCBBHBV-LLVKDONJSA-N
MW336.46 g/mol
LogP1.26
Rot. Bonds6

About 2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide

2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 95633448) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID95633448
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCS[C@H](C)C(=O)NCC1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C16H24N4O2S/c1-11(23-2)16(22)19-10-12-5-8-20(9-6-12)15-13(14(17)21)4-3-7-18-15/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H2,17,21)(H,19,22)/t11-/m1/s1
InChIKeyMHVNAKKDCBBHBV-LLVKDONJSA-N
XLogP1.26
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 131923672
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 113243984
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 30756321
2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442979
[4-(methylaminomethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119545764
2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63855115
(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 95378636
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 131912368
[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methylcarbamic acid
CID 67136498

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 95633448) is 2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide is CS[C@H](C)C(=O)NCC1CCN(c2ncccc2C(N)=O)CC1.
What is the InChIKey of 2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is MHVNAKKDCBBHBV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-11(23-2)16(22)19-10-12-5-8-20(9-6-12)15-13(14(17)21)4-3-7-18-15/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H2,17,21)(H,19,22)/t11-/m1/s1.
What are the key properties of 2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide?
2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95633448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).