N-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide

C22H24N4O2 — CID 121474072

IUPACN-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c1
InChIInChI=1S/C22H24N4O2/c1-15-3-2-4-16(11-15)13-24-22(27)19-6-5-17-14-23-21(12-20(17)26-19)25-18-7-9-28-10-8-18/h2-6,11-12,14,18H,7-10,13H2,1H3,(H,23,25)(H,24,27)
InChIKeyCNQMTIAHFBWVAX-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.46
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide

N-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide (PubChem CID 121474072) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
PubChem CID121474072
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c1
InChIInChI=1S/C22H24N4O2/c1-15-3-2-4-16(11-15)13-24-22(27)19-6-5-17-14-23-21(12-20(17)26-19)25-18-7-9-28-10-8-18/h2-6,11-12,14,18H,7-10,13H2,1H3,(H,23,25)(H,24,27)
InChIKeyCNQMTIAHFBWVAX-UHFFFAOYSA-N
XLogP3.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341214
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
7-(oxan-4-ylamino)-N-[2-[2-(1H-pyrazol-4-yl)phenyl]ethyl]-1,6-naphthyridine-2-carboxamide
CID 90005591
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109322632
2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096140
1-[5-methyl-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]imidazole-4-carboxamide;sulfane
CID 162182996
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188428
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide (CID 121474072) is N-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide is Cc1cccc(CNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The InChIKey is CNQMTIAHFBWVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-3-2-4-16(11-15)13-24-22(27)19-6-5-17-14-23-21(12-20(17)26-19)25-18-7-9-28-10-8-18/h2-6,11-12,14,18H,7-10,13H2,1H3,(H,23,25)(H,24,27).
What are the key properties of N-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
N-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 121474072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).