N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide

C14H17N3OS — CID 105070736

IUPACN-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
SMILESCCc1ccsc1CNC(=O)c1ccncc1NC
InChIInChI=1S/C14H17N3OS/c1-3-10-5-7-19-13(10)9-17-14(18)11-4-6-16-8-12(11)15-2/h4-8,15H,3,9H2,1-2H3,(H,17,18)
InChIKeyULLHRZGNRHXXCZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.68
Rot. Bonds5

About N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide

N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide (PubChem CID 105070736) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
PubChem CID105070736
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
SMILESCCc1ccsc1CNC(=O)c1ccncc1NC
InChIInChI=1S/C14H17N3OS/c1-3-10-5-7-19-13(10)9-17-14(18)11-4-6-16-8-12(11)15-2/h4-8,15H,3,9H2,1-2H3,(H,17,18)
InChIKeyULLHRZGNRHXXCZ-UHFFFAOYSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
N-[(3-ethyl-2-pyridinyl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070941
2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide
CID 106687031
N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81245012
3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide
CID 105069426
4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 81248898
N-cyclopropyl-3-(methylamino)pyridine-4-carboxamide
CID 105068162
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070606
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
N-(4-ethylcyclohexyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069028
3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
CID 105069816
1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
CID 115686537

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide (CID 105070736) is N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide is CCc1ccsc1CNC(=O)c1ccncc1NC.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide?
The InChIKey is ULLHRZGNRHXXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-10-5-7-19-13(10)9-17-14(18)11-4-6-16-8-12(11)15-2/h4-8,15H,3,9H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide?
N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105070736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).