2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C16H21N3OS — CID 62174129

IUPAC2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C16H21N3OS/c1-4-17-15-14(8-5-9-18-15)16(20)19(12(2)3)11-13-7-6-10-21-13/h5-10,12H,4,11H2,1-3H3,(H,17,18)
InChIKeyQHYCDYHHZHBDKO-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.63
Rot. Bonds6

About 2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 62174129) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID62174129
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C16H21N3OS/c1-4-17-15-14(8-5-9-18-15)16(20)19(12(2)3)11-13-7-6-10-21-13/h5-10,12H,4,11H2,1-3H3,(H,17,18)
InChIKeyQHYCDYHHZHBDKO-UHFFFAOYSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62175045
N-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62168156
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
6-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62240687
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104742073
2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487895
2-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62168546
3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61450256
2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62178139
2-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 62179628
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 60738646
2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61449973

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 62174129) is 2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is CCNc1ncccc1C(=O)N(Cc1cccs1)C(C)C.
What is the InChIKey of 2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is QHYCDYHHZHBDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-17-15-14(8-5-9-18-15)16(20)19(12(2)3)11-13-7-6-10-21-13/h5-10,12H,4,11H2,1-3H3,(H,17,18).
What are the key properties of 2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62174129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).