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

C18H23N3OS — CID 39613359

IUPACN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cn1
InChIInChI=1S/C18H23N3OS/c1-21(2)16-10-9-14(12-19-16)18(22)20-17(13-6-3-4-7-13)15-8-5-11-23-15/h5,8-13,17H,3-4,6-7H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyVWSOPJPSPWUKPH-KRWDZBQOSA-N
MW329.47 g/mol
LogP3.87
Rot. Bonds5

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

N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide (PubChem CID 39613359) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
PubChem CID39613359
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cn1
InChIInChI=1S/C18H23N3OS/c1-21(2)16-10-9-14(12-19-16)18(22)20-17(13-6-3-4-7-13)15-8-5-11-23-15/h5,8-13,17H,3-4,6-7H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyVWSOPJPSPWUKPH-KRWDZBQOSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 39029656
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-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820
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
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 118778831

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide (CID 39613359) is N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cn1.
What is the InChIKey of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is VWSOPJPSPWUKPH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-21(2)16-10-9-14(12-19-16)18(22)20-17(13-6-3-4-7-13)15-8-5-11-23-15/h5,8-13,17H,3-4,6-7H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide?
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 39613359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).