N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide

C16H24N4O2S — CID 135216894

IUPACN-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide
SMILESCC(CCN1CCC(C(=O)NS)CC1)NC(=O)c1ccccn1
InChIInChI=1S/C16H24N4O2S/c1-12(18-16(22)14-4-2-3-8-17-14)5-9-20-10-6-13(7-11-20)15(21)19-23/h2-4,8,12-13,23H,5-7,9-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyAICZGTNSUHYYLF-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.26
Rot. Bonds6

About N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide

N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide (PubChem CID 135216894) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide
PubChem CID135216894
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide
SMILESCC(CCN1CCC(C(=O)NS)CC1)NC(=O)c1ccccn1
InChIInChI=1S/C16H24N4O2S/c1-12(18-16(22)14-4-2-3-8-17-14)5-9-20-10-6-13(7-11-20)15(21)19-23/h2-4,8,12-13,23H,5-7,9-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyAICZGTNSUHYYLF-UHFFFAOYSA-N
XLogP1.26
TPSA74.33 Ų
H-Bond Donors3
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 ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 51362567
N-(1-cyanopropan-2-yl)pyridine-2-carboxamide
CID 62090992
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide
CID 155674233
N-[[1-(2-phenylpropyl)piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 110226658
N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 92581935
2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate
CID 174725091
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032
6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
CID 134329104
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 124753102
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide (CID 135216894) is N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide is CC(CCN1CCC(C(=O)NS)CC1)NC(=O)c1ccccn1.
What is the InChIKey of N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide?
The InChIKey is AICZGTNSUHYYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-12(18-16(22)14-4-2-3-8-17-14)5-9-20-10-6-13(7-11-20)15(21)19-23/h2-4,8,12-13,23H,5-7,9-11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide?
N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 135216894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).