N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide

C13H18N4OS — CID 55247301

IUPACN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESNC(=S)CN1CCC(NC(=O)c2cccnc2)CC1
InChIInChI=1S/C13H18N4OS/c14-12(19)9-17-6-3-11(4-7-17)16-13(18)10-2-1-5-15-8-10/h1-2,5,8,11H,3-4,6-7,9H2,(H2,14,19)(H,16,18)
InChIKeyGXFCXMHYVCCTDP-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.56
Rot. Bonds4

About N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 55247301) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID55247301
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESNC(=S)CN1CCC(NC(=O)c2cccnc2)CC1
InChIInChI=1S/C13H18N4OS/c14-12(19)9-17-6-3-11(4-7-17)16-13(18)10-2-1-5-15-8-10/h1-2,5,8,11H,3-4,6-7,9H2,(H2,14,19)(H,16,18)
InChIKeyGXFCXMHYVCCTDP-UHFFFAOYSA-N
XLogP0.56
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide
CID 104670473
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-bromobenzamide
CID 63626811
N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3727872
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-4-iodobenzamide
CID 63627321
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634621
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 103118001
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-iodothiophene-3-carboxamide
CID 79693120
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63627169
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 55247301) is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide is NC(=S)CN1CCC(NC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is GXFCXMHYVCCTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c14-12(19)9-17-6-3-11(4-7-17)16-13(18)10-2-1-5-15-8-10/h1-2,5,8,11H,3-4,6-7,9H2,(H2,14,19)(H,16,18).
What are the key properties of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 55247301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).