cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide

C18H23N3OS — CID 56899848

IUPACcis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCc1ccc(CN(Cc2ccccn2)C(=O)[C@H]2CC[C@@H](N)C2)s1
InChIInChI=1S/C18H23N3OS/c1-13-5-8-17(23-13)12-21(11-16-4-2-3-9-20-16)18(22)14-6-7-15(19)10-14/h2-5,8-9,14-15H,6-7,10-12,19H2,1H3/t14-,15+/m0/s1
InChIKeyPBORHGSPPFQEAL-LSDHHAIUSA-N
MW329.47 g/mol
LogP3.11
Rot. Bonds5

About cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide

cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 56899848) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID56899848
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Namecis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCc1ccc(CN(Cc2ccccn2)C(=O)[C@H]2CC[C@@H](N)C2)s1
InChIInChI=1S/C18H23N3OS/c1-13-5-8-17(23-13)12-21(11-16-4-2-3-9-20-16)18(22)14-6-7-15(19)10-14/h2-5,8-9,14-15H,6-7,10-12,19H2,1H3/t14-,15+/m0/s1
InChIKeyPBORHGSPPFQEAL-LSDHHAIUSA-N
XLogP3.11
TPSA59.22 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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide with MolForge

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Related Compounds

(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(3-methylthiophen-2-yl)methanone
CID 42606103
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(5-methylthiophen-2-yl)methanone
CID 42606105
2-[Benzyl-(2-thiophen-2-yl-acetyl)-amino]-N-cyclopentyl-2-pyridin-4-yl-acetamide
CID 3202582
N-Cyclopentyl-2-[(3-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-2-pyridin-4-yl-acetamide
CID 3202587
N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202604
N-Cyclopentyl-2-pyridin-4-yl-2-[(2-thiophen-2-yl-acetyl)-m-tolyl-amino]-acetamide
CID 3202606
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202877
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 3950572
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 4307489
N-[(5-methyl-2-thienyl)methyl]-6-oxo-1-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide
CID 24791013
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 84505794

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide (CID 56899848) is cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide is Cc1ccc(CN(Cc2ccccn2)C(=O)[C@H]2CC[C@@H](N)C2)s1.
What is the InChIKey of cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is PBORHGSPPFQEAL-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-5-8-17(23-13)12-21(11-16-4-2-3-9-20-16)18(22)14-6-7-15(19)10-14/h2-5,8-9,14-15H,6-7,10-12,19H2,1H3/t14-,15+/m0/s1.
What are the key properties of cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide?
cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 56899848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).