N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide

C17H20N4O2S — CID 120598578

IUPACN-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESCC1CC(NC(=O)c2sccc2NC(=O)c2ccncc2)CCN1
InChIInChI=1S/C17H20N4O2S/c1-11-10-13(4-8-19-11)20-17(23)15-14(5-9-24-15)21-16(22)12-2-6-18-7-3-12/h2-3,5-7,9,11,13,19H,4,8,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyOMWIGEBAMAMOBR-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.27
Rot. Bonds4

About N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide

N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide (PubChem CID 120598578) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
PubChem CID120598578
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESCC1CC(NC(=O)c2sccc2NC(=O)c2ccncc2)CCN1
InChIInChI=1S/C17H20N4O2S/c1-11-10-13(4-8-19-11)20-17(23)15-14(5-9-24-15)21-16(22)12-2-6-18-7-3-12/h2-3,5-7,9,11,13,19H,4,8,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyOMWIGEBAMAMOBR-UHFFFAOYSA-N
XLogP2.27
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
CID 120555354
N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide
CID 47323861
N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 95160272
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 120945879
2-methyl-N-(2-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 106995091
N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide
CID 119412807
N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 120600789
N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 60556218
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 120598205

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide (CID 120598578) is N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide is CC1CC(NC(=O)c2sccc2NC(=O)c2ccncc2)CCN1.
What is the InChIKey of N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The InChIKey is OMWIGEBAMAMOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-10-13(4-8-19-11)20-17(23)15-14(5-9-24-15)21-16(22)12-2-6-18-7-3-12/h2-3,5-7,9,11,13,19H,4,8,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 120598578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).