2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide

C28H36N6O — CID 25071954

IUPAC2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide
SMILESN#Cc1ncc(C(=O)N[C@H](Cc2ccccc2)CN2CCCC2)c(NCC2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H36N6O/c29-17-25-30-19-24(26(33-25)31-18-22-8-10-28(11-9-22)12-13-28)27(35)32-23(20-34-14-4-5-15-34)16-21-6-2-1-3-7-21/h1-3,6-7,19,22-23H,4-5,8-16,18,20H2,(H,32,35)(H,30,31,33)/t23-/m1/s1
InChIKeyZFWPNYQSYFERIU-HSZRJFAPSA-N
MW472.64 g/mol
LogP4.17
Rot. Bonds9

About 2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide

2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 25071954) has the molecular formula C28H36N6O and a molecular weight of 472.64 g/mol. Its IUPAC name is 2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID25071954
Molecular FormulaC28H36N6O
Molecular Weight472.64 g/mol
Exact Mass472.30
IUPAC Name2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide
SMILESN#Cc1ncc(C(=O)N[C@H](Cc2ccccc2)CN2CCCC2)c(NCC2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H36N6O/c29-17-25-30-19-24(26(33-25)31-18-22-8-10-28(11-9-22)12-13-28)27(35)32-23(20-34-14-4-5-15-34)16-21-6-2-1-3-7-21/h1-3,6-7,19,22-23H,4-5,8-16,18,20H2,(H,32,35)(H,30,31,33)/t23-/m1/s1
InChIKeyZFWPNYQSYFERIU-HSZRJFAPSA-N
XLogP4.17
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide (CID 25071954) is 2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide is N#Cc1ncc(C(=O)N[C@H](Cc2ccccc2)CN2CCCC2)c(NCC2CCC3(CC2)CC3)n1.
What is the InChIKey of 2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is ZFWPNYQSYFERIU-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H36N6O/c29-17-25-30-19-24(26(33-25)31-18-22-8-10-28(11-9-22)12-13-28)27(35)32-23(20-34-14-4-5-15-34)16-21-6-2-1-3-7-21/h1-3,6-7,19,22-23H,4-5,8-16,18,20H2,(H,32,35)(H,30,31,33)/t23-/m1/s1.
What are the key properties of 2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide?
2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 472.64 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2R)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 25071954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).