2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

C22H23N5O2 — CID 42670736

IUPAC2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCc3ccncc3)c(N3CCOCC3)n2)c1
InChIInChI=1S/C22H23N5O2/c1-16-3-2-4-18(13-16)20-24-15-19(21(26-20)27-9-11-29-12-10-27)22(28)25-14-17-5-7-23-8-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,25,28)
InChIKeyNUKQRYJUZUMJBF-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.61
Rot. Bonds5

About 2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 42670736) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID42670736
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCc3ccncc3)c(N3CCOCC3)n2)c1
InChIInChI=1S/C22H23N5O2/c1-16-3-2-4-18(13-16)20-24-15-19(21(26-20)27-9-11-29-12-10-27)22(28)25-14-17-5-7-23-8-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,25,28)
InChIKeyNUKQRYJUZUMJBF-UHFFFAOYSA-N
XLogP2.61
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-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-(3-methylphenyl)-4-(4-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670785
2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670773
2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 42670750
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669959
N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 93138162
N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 93138161
[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 118243130
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
1-[4-[2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 42670767
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 42673393
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 42822200

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (CID 42670736) is 2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is Cc1cccc(-c2ncc(C(=O)NCc3ccncc3)c(N3CCOCC3)n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is NUKQRYJUZUMJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16-3-2-4-18(13-16)20-24-15-19(21(26-20)27-9-11-29-12-10-27)22(28)25-14-17-5-7-23-8-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,25,28).
What are the key properties of 2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42670736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).