N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide

C16H18N2OS — CID 51107627

IUPACN-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCc1nc(-c2ccsc2)ccc1C(=O)N(C)CC1CC1
InChIInChI=1S/C16H18N2OS/c1-11-14(16(19)18(2)9-12-3-4-12)5-6-15(17-11)13-7-8-20-10-13/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyCKVPCIHVHHDIHA-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.60
Rot. Bonds4

About N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide

N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 51107627) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide
PubChem CID51107627
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCc1nc(-c2ccsc2)ccc1C(=O)N(C)CC1CC1
InChIInChI=1S/C16H18N2OS/c1-11-14(16(19)18(2)9-12-3-4-12)5-6-15(17-11)13-7-8-20-10-13/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyCKVPCIHVHHDIHA-UHFFFAOYSA-N
XLogP3.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide (CID 51107627) is N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide is Cc1nc(-c2ccsc2)ccc1C(=O)N(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is CKVPCIHVHHDIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-14(16(19)18(2)9-12-3-4-12)5-6-15(17-11)13-7-8-20-10-13/h5-8,10,12H,3-4,9H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide?
N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N,2-dimethyl-6-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 51107627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).