N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide

C19H18N4O2 — CID 50965619

IUPACN-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
SMILESCC(c1ccncn1)N(C)C(=O)c1cn2c3c(cccc3c1=O)CC2
InChIInChI=1S/C19H18N4O2/c1-12(16-6-8-20-11-21-16)22(2)19(25)15-10-23-9-7-13-4-3-5-14(17(13)23)18(15)24/h3-6,8,10-12H,7,9H2,1-2H3
InChIKeyXDLKXLZUDQXKAB-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.18
Rot. Bonds3

About N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide

N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide (PubChem CID 50965619) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide.

Molecular Properties

Compound NameN-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
PubChem CID50965619
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
SMILESCC(c1ccncn1)N(C)C(=O)c1cn2c3c(cccc3c1=O)CC2
InChIInChI=1S/C19H18N4O2/c1-12(16-6-8-20-11-21-16)22(2)19(25)15-10-23-9-7-13-4-3-5-14(17(13)23)18(15)24/h3-6,8,10-12H,7,9H2,1-2H3
InChIKeyXDLKXLZUDQXKAB-UHFFFAOYSA-N
XLogP2.18
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-9-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 50948141
9-oxo-N-[(1S)-1-phenylethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
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N-methyl-3-(2-oxopiperidin-1-yl)-N-[(1R)-1-pyrimidin-4-ylethyl]propanamide
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N-methyl-3-phenyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 126446006
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CID 50981802
N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The IUPAC name of N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide (CID 50965619) is N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide.
What is the SMILES notation for N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The canonical SMILES for N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide is CC(c1ccncn1)N(C)C(=O)c1cn2c3c(cccc3c1=O)CC2.
What is the InChIKey of N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The InChIKey is XDLKXLZUDQXKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12(16-6-8-20-11-21-16)22(2)19(25)15-10-23-9-7-13-4-3-5-14(17(13)23)18(15)24/h3-6,8,10-12H,7,9H2,1-2H3.
What are the key properties of N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide is sourced from PubChem (CID 50965619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).