4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide

C18H21N5O — CID 97220635

IUPAC4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide
SMILESN#Cc1c[nH]c(C(=O)N[C@H](CC2CCCCC2)c2ncccn2)c1
InChIInChI=1S/C18H21N5O/c19-11-14-10-16(22-12-14)18(24)23-15(17-20-7-4-8-21-17)9-13-5-2-1-3-6-13/h4,7-8,10,12-13,15,22H,1-3,5-6,9H2,(H,23,24)/t15-/m1/s1
InChIKeyOFRPZTFIEWUYEC-OAHLLOKOSA-N
MW323.40 g/mol
LogP3.12
Rot. Bonds5

About 4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide

4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide (PubChem CID 97220635) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide
PubChem CID97220635
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide
SMILESN#Cc1c[nH]c(C(=O)N[C@H](CC2CCCCC2)c2ncccn2)c1
InChIInChI=1S/C18H21N5O/c19-11-14-10-16(22-12-14)18(24)23-15(17-20-7-4-8-21-17)9-13-5-2-1-3-6-13/h4,7-8,10,12-13,15,22H,1-3,5-6,9H2,(H,23,24)/t15-/m1/s1
InChIKeyOFRPZTFIEWUYEC-OAHLLOKOSA-N
XLogP3.12
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide (CID 97220635) is 4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide is N#Cc1c[nH]c(C(=O)N[C@H](CC2CCCCC2)c2ncccn2)c1.
What is the InChIKey of 4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is OFRPZTFIEWUYEC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O/c19-11-14-10-16(22-12-14)18(24)23-15(17-20-7-4-8-21-17)9-13-5-2-1-3-6-13/h4,7-8,10,12-13,15,22H,1-3,5-6,9H2,(H,23,24)/t15-/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide?
4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-2-cyclohexyl-1-pyrimidin-2-ylethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 97220635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).