cis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide

C20H25N5O2 — CID 70723943

IUPACcis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2CC[C@@H](NC(=O)N(C)c3ccccc3)C2)cn1
InChIInChI=1S/C20H25N5O2/c1-14-11-22-17(12-21-14)13-23-19(26)15-8-9-16(10-15)24-20(27)25(2)18-6-4-3-5-7-18/h3-7,11-12,15-16H,8-10,13H2,1-2H3,(H,23,26)(H,24,27)/t15-,16+/m0/s1
InChIKeyXVBZMEVLNICKMA-JKSUJKDBSA-N
MW367.45 g/mol
LogP2.42
Rot. Bonds5

About cis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide

cis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 70723943) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide
PubChem CID70723943
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Namecis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2CC[C@@H](NC(=O)N(C)c3ccccc3)C2)cn1
InChIInChI=1S/C20H25N5O2/c1-14-11-22-17(12-21-14)13-23-19(26)15-8-9-16(10-15)24-20(27)25(2)18-6-4-3-5-7-18/h3-7,11-12,15-16H,8-10,13H2,1-2H3,(H,23,26)(H,24,27)/t15-,16+/m0/s1
InChIKeyXVBZMEVLNICKMA-JKSUJKDBSA-N
XLogP2.42
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63006041
5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688468
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148018
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
acetic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methylpyrazin-2-yl)methylcarbamoyl]cyclohexyl]-5-methylpyridine-3-carboxamide
CID 163341340
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
(5-methylpyrazin-2-yl)methylurea
CID 62845946
1-(2-methoxyacetyl)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide
CID 72863250
1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea
CID 116658108
N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82908850
cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106324097
4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148278

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide (CID 70723943) is cis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide is Cc1cnc(CNC(=O)[C@H]2CC[C@@H](NC(=O)N(C)c3ccccc3)C2)cn1.
What is the InChIKey of cis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is XVBZMEVLNICKMA-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-11-22-17(12-21-14)13-23-19(26)15-8-9-16(10-15)24-20(27)25(2)18-6-4-3-5-7-18/h3-7,11-12,15-16H,8-10,13H2,1-2H3,(H,23,26)(H,24,27)/t15-,16+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide?
cis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[methyl(phenyl)carbamoyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 70723943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).