4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide

C19H25N5O — CID 126778035

IUPAC4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESNc1ncncc1C(=O)NCc1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C19H25N5O/c20-18-17(12-21-14-23-18)19(25)22-11-15-5-7-16(8-6-15)13-24-9-3-1-2-4-10-24/h5-8,12,14H,1-4,9-11,13H2,(H,22,25)(H2,20,21,23)
InChIKeyUKPRHWVKVUWLRM-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.36
Rot. Bonds5

About 4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide

4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide (PubChem CID 126778035) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
PubChem CID126778035
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESNc1ncncc1C(=O)NCc1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C19H25N5O/c20-18-17(12-21-14-23-18)19(25)22-11-15-5-7-16(8-6-15)13-24-9-3-1-2-4-10-24/h5-8,12,14H,1-4,9-11,13H2,(H,22,25)(H2,20,21,23)
InChIKeyUKPRHWVKVUWLRM-UHFFFAOYSA-N
XLogP2.36
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]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

4-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 126788876
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide
CID 126793113
2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 91798076
4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 46971543
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 51232553
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 122157149
5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17450811
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-chloropyridine-4-carboxamide
CID 60602338

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide (CID 126778035) is 4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide is Nc1ncncc1C(=O)NCc1ccc(CN2CCCCCC2)cc1.
What is the InChIKey of 4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is UKPRHWVKVUWLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c20-18-17(12-21-14-23-18)19(25)22-11-15-5-7-16(8-6-15)13-24-9-3-1-2-4-10-24/h5-8,12,14H,1-4,9-11,13H2,(H,22,25)(H2,20,21,23).
What are the key properties of 4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide?
4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 126778035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).