N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide

C16H21N3OS — CID 62179603

IUPACN-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)N(C)C(C)c2cccs2)c1
InChIInChI=1S/C16H21N3OS/c1-4-8-17-13-7-9-18-14(11-13)16(20)19(3)12(2)15-6-5-10-21-15/h5-7,9-12H,4,8H2,1-3H3,(H,17,18)
InChIKeyNXBSBQLKFBHYNY-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.80
Rot. Bonds6

About N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide

N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide (PubChem CID 62179603) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
PubChem CID62179603
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)N(C)C(C)c2cccs2)c1
InChIInChI=1S/C16H21N3OS/c1-4-8-17-13-7-9-18-14(11-13)16(20)19(3)12(2)15-6-5-10-21-15/h5-7,9-12H,4,8H2,1-3H3,(H,17,18)
InChIKeyNXBSBQLKFBHYNY-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62180310
4-amino-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55041564
N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615832
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N,N-dimethyl-4-(1-thiophen-2-ylethylamino)pyridine-2-carboxamide
CID 43402714
N-[2-(dimethylamino)propyl]-4-(propylamino)pyridine-2-carboxamide
CID 55047383
4-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-2-carboxamide
CID 62169428
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430
1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 94124053
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 63836696
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-2-carboxamide
CID 62180315

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide (CID 62179603) is N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)N(C)C(C)c2cccs2)c1.
What is the InChIKey of N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is NXBSBQLKFBHYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-8-17-13-7-9-18-14(11-13)16(20)19(3)12(2)15-6-5-10-21-15/h5-7,9-12H,4,8H2,1-3H3,(H,17,18).
What are the key properties of N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62179603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).