N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide

C17H20N2OS — CID 39029656

IUPACN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cn1
InChIInChI=1S/C17H20N2OS/c1-12-8-9-14(11-18-12)17(20)19-16(13-5-2-3-6-13)15-7-4-10-21-15/h4,7-11,13,16H,2-3,5-6H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyDBUOXKQHDIHDIL-INIZCTEOSA-N
MW300.43 g/mol
LogP4.11
Rot. Bonds4

About N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide

N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 39029656) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID39029656
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cn1
InChIInChI=1S/C17H20N2OS/c1-12-8-9-14(11-18-12)17(20)19-16(13-5-2-3-6-13)15-7-4-10-21-15/h4,7-11,13,16H,2-3,5-6H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyDBUOXKQHDIHDIL-INIZCTEOSA-N
XLogP4.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 39613359
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide
CID 97311490
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
CID 51943755
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide
CID 63524576
N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 46452344
4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 81228997
1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 71941757
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 39032515

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide (CID 39029656) is N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cn1.
What is the InChIKey of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is DBUOXKQHDIHDIL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-8-9-14(11-18-12)17(20)19-16(13-5-2-3-6-13)15-7-4-10-21-15/h4,7-11,13,16H,2-3,5-6H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide?
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 39029656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).