N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide

C19H18N4O2 — CID 90544116

IUPACN-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1cc(N2CCOCC2)ncn1)c1ccc2ccccc2c1
InChIInChI=1S/C19H18N4O2/c24-19(16-6-5-14-3-1-2-4-15(14)11-16)22-17-12-18(21-13-20-17)23-7-9-25-10-8-23/h1-6,11-13H,7-10H2,(H,20,21,22,24)
InChIKeyLRBZVQNXZQKDHI-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.72
Rot. Bonds3

About N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide

N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide (PubChem CID 90544116) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide
PubChem CID90544116
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1cc(N2CCOCC2)ncn1)c1ccc2ccccc2c1
InChIInChI=1S/C19H18N4O2/c24-19(16-6-5-14-3-1-2-4-15(14)11-16)22-17-12-18(21-13-20-17)23-7-9-25-10-8-23/h1-6,11-13H,7-10H2,(H,20,21,22,24)
InChIKeyLRBZVQNXZQKDHI-UHFFFAOYSA-N
XLogP2.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544249
N-(6-morpholin-4-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544119
2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544115
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea
CID 701189
N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
CID 90544169
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 113192860
6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide
CID 71794873
3-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545167

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide (CID 90544116) is N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide is O=C(Nc1cc(N2CCOCC2)ncn1)c1ccc2ccccc2c1.
What is the InChIKey of N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide?
The InChIKey is LRBZVQNXZQKDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(16-6-5-14-3-1-2-4-15(14)11-16)22-17-12-18(21-13-20-17)23-7-9-25-10-8-23/h1-6,11-13H,7-10H2,(H,20,21,22,24).
What are the key properties of N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide?
N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 90544116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).