N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide

C20H19N5O — CID 129240145

IUPACN-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(-c3cccc(NC4CC4)c3)cn2)cn1
InChIInChI=1S/C20H19N5O/c1-13-21-11-16(12-22-13)20(26)25-19-8-5-15(10-23-19)14-3-2-4-18(9-14)24-17-6-7-17/h2-5,8-12,17,24H,6-7H2,1H3,(H,23,25,26)
InChIKeySSOANIZNKMHGDF-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.67
Rot. Bonds5

About N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide

N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide (PubChem CID 129240145) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
PubChem CID129240145
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(-c3cccc(NC4CC4)c3)cn2)cn1
InChIInChI=1S/C20H19N5O/c1-13-21-11-16(12-22-13)20(26)25-19-8-5-15(10-23-19)14-3-2-4-18(9-14)24-17-6-7-17/h2-5,8-12,17,24H,6-7H2,1H3,(H,23,25,26)
InChIKeySSOANIZNKMHGDF-UHFFFAOYSA-N
XLogP3.67
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-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 N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide (CID 129240145) is N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(-c3cccc(NC4CC4)c3)cn2)cn1.
What is the InChIKey of N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is SSOANIZNKMHGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-21-11-16(12-22-13)20(26)25-19-8-5-15(10-23-19)14-3-2-4-18(9-14)24-17-6-7-17/h2-5,8-12,17,24H,6-7H2,1H3,(H,23,25,26).
What are the key properties of N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide?
N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(cyclopropylamino)phenyl]-2-pyridinyl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 129240145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).