6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide

C16H21N3OS — CID 81235154

IUPAC6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCc1sccc1C
InChIInChI=1S/C16H21N3OS/c1-4-6-17-14-8-12(3)18-9-13(14)16(20)19-10-15-11(2)5-7-21-15/h5,7-9H,4,6,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyQKMZFYQEKVADDX-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.51
Rot. Bonds6

About 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide

6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81235154) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
PubChem CID81235154
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCc1sccc1C
InChIInChI=1S/C16H21N3OS/c1-4-6-17-14-8-12(3)18-9-13(14)16(20)19-10-15-11(2)5-7-21-15/h5,7-9H,4,6,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyQKMZFYQEKVADDX-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

6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237936
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
6-methyl-4-(propylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81238896
N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235673
6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 81244929
6-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237526
4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243302
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243009
6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238764
6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238236
6-methyl-N-(4-methyl-3-pyridinyl)-4-(propylamino)pyridine-3-carboxamide
CID 81235489

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide (CID 81235154) is 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide is CCCNc1cc(C)ncc1C(=O)NCc1sccc1C.
What is the InChIKey of 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is QKMZFYQEKVADDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-6-17-14-8-12(3)18-9-13(14)16(20)19-10-15-11(2)5-7-21-15/h5,7-9H,4,6,10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-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 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81235154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).