2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

C17H17N5O2 — CID 109252493

IUPAC2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESN#Cc1cccc(Nc2ncc(C(=O)NCC3CCCO3)cn2)c1
InChIInChI=1S/C17H17N5O2/c18-8-12-3-1-4-14(7-12)22-17-20-9-13(10-21-17)16(23)19-11-15-5-2-6-24-15/h1,3-4,7,9-10,15H,2,5-6,11H2,(H,19,23)(H,20,21,22)
InChIKeyLLYPVXSXPCKEAM-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.00
Rot. Bonds5

About 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109252493) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109252493
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESN#Cc1cccc(Nc2ncc(C(=O)NCC3CCCO3)cn2)c1
InChIInChI=1S/C17H17N5O2/c18-8-12-3-1-4-14(7-12)22-17-20-9-13(10-21-17)16(23)19-11-15-5-2-6-24-15/h1,3-4,7,9-10,15H,2,5-6,11H2,(H,19,23)(H,20,21,22)
InChIKeyLLYPVXSXPCKEAM-UHFFFAOYSA-N
XLogP2.00
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)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

Related Compounds

2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626
4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206901
2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324832
2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249705
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252474
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 108994419
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252451
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857362
2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252405
2-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252426
2-(2,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252478

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (CID 109252493) is 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is N#Cc1cccc(Nc2ncc(C(=O)NCC3CCCO3)cn2)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is LLYPVXSXPCKEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c18-8-12-3-1-4-14(7-12)22-17-20-9-13(10-21-17)16(23)19-11-15-5-2-6-24-15/h1,3-4,7,9-10,15H,2,5-6,11H2,(H,19,23)(H,20,21,22).
What are the key properties of 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).