(3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide

C17H29N5O — CID 164638747

IUPAC(3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)n1cnnc1C[C@H]1CCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H29N5O/c1-13(2)22-12-18-20-16(22)10-14-8-9-21(11-14)17(23)19-15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeySMTMXGQCDHILGX-CQSZACIVSA-N
MW319.45 g/mol
LogP2.77
Rot. Bonds4

About (3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide

(3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 164638747) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID164638747
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name(3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)n1cnnc1C[C@H]1CCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H29N5O/c1-13(2)22-12-18-20-16(22)10-14-8-9-21(11-14)17(23)19-15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeySMTMXGQCDHILGX-CQSZACIVSA-N
XLogP2.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide (CID 164638747) is (3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide is CC(C)n1cnnc1C[C@H]1CCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of (3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is SMTMXGQCDHILGX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13(2)22-12-18-20-16(22)10-14-8-9-21(11-14)17(23)19-15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide?
(3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 164638747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).