N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide

C16H21N3OS — CID 104641591

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2cc(C)c(C)s2)nc1
InChIInChI=1S/C16H21N3OS/c1-4-7-17-13-5-6-15(18-9-13)16(20)19-10-14-8-11(2)12(3)21-14/h5-6,8-9,17H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyGEYPKQOBCOKXBF-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.51
Rot. Bonds6

About N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide (PubChem CID 104641591) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide
PubChem CID104641591
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2cc(C)c(C)s2)nc1
InChIInChI=1S/C16H21N3OS/c1-4-7-17-13-5-6-15(18-9-13)16(20)19-10-14-8-11(2)12(3)21-14/h5-6,8-9,17H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyGEYPKQOBCOKXBF-UHFFFAOYSA-N
XLogP3.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104641173
5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 107257832
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide
CID 107375938
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104640089
5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 104641010
N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179268
5-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 113320967
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 104765582
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
CID 65245855
5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide
CID 104641679
2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114918600
N-(3-methyl-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641367

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide (CID 104641591) is N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)NCc2cc(C)c(C)s2)nc1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is GEYPKQOBCOKXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-7-17-13-5-6-15(18-9-13)16(20)19-10-14-8-11(2)12(3)21-14/h5-6,8-9,17H,4,7,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).