1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea

C21H21N5O3 — CID 134120375

IUPAC1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea
SMILESCC1CCCc2ncc(C(=O)NNC(=O)Nc3cccc4ccccc34)c(=O)n21
InChIInChI=1S/C21H21N5O3/c1-13-6-4-11-18-22-12-16(20(28)26(13)18)19(27)24-25-21(29)23-17-10-5-8-14-7-2-3-9-15(14)17/h2-3,5,7-10,12-13H,4,6,11H2,1H3,(H,24,27)(H2,23,25,29)
InChIKeyKBIUAHFFFHHTKG-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.76
Rot. Bonds2

About 1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea

1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea (PubChem CID 134120375) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea
PubChem CID134120375
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea
SMILESCC1CCCc2ncc(C(=O)NNC(=O)Nc3cccc4ccccc34)c(=O)n21
InChIInChI=1S/C21H21N5O3/c1-13-6-4-11-18-22-12-16(20(28)26(13)18)19(27)24-25-21(29)23-17-10-5-8-14-7-2-3-9-15(14)17/h2-3,5,7-10,12-13H,4,6,11H2,1H3,(H,24,27)(H2,23,25,29)
InChIKeyKBIUAHFFFHHTKG-UHFFFAOYSA-N
XLogP2.76
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea 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

1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea
CID 841598
1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea
CID 1225748
2-(2-methylpiperidin-1-yl)-N-naphthalen-1-yl-2-oxoacetamide
CID 108523375
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide
CID 122214609
1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
CID 17490110
1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea
CID 70821492
1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 46208985
N-(3-methylphenyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide
CID 2223034
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea (CID 134120375) is 1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea is CC1CCCc2ncc(C(=O)NNC(=O)Nc3cccc4ccccc34)c(=O)n21.
What is the InChIKey of 1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea?
The InChIKey is KBIUAHFFFHHTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-13-6-4-11-18-22-12-16(20(28)26(13)18)19(27)24-25-21(29)23-17-10-5-8-14-7-2-3-9-15(14)17/h2-3,5,7-10,12-13H,4,6,11H2,1H3,(H,24,27)(H2,23,25,29).
What are the key properties of 1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea?
1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea has a molecular weight of 391.43 g/mol, XLogP of 2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-naphthalen-1-ylurea is sourced from PubChem (CID 134120375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).