3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one

C20H22N4O — CID 122180557

IUPAC3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3ccccc3)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C20H22N4O/c1-13-11-16-17(14-5-3-2-4-6-14)12-22-19(18(16)24-20(13)25)23-15-7-9-21-10-8-15/h2-6,11-12,15,21H,7-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyYTGHVJNUPGANNO-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.06
Rot. Bonds3

About 3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one

3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (PubChem CID 122180557) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
PubChem CID122180557
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3ccccc3)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C20H22N4O/c1-13-11-16-17(14-5-3-2-4-6-14)12-22-19(18(16)24-20(13)25)23-15-7-9-21-10-8-15/h2-6,11-12,15,21H,7-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyYTGHVJNUPGANNO-UHFFFAOYSA-N
XLogP3.06
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 66
CID 5330252
8-cyclohexyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330263
Pyrido[2,3-d]pyrimidin-7-one 11
CID 5330338
Pyrido[2,3-d]pyrimidin-7-one 13
CID 5330340
Pyrido[2,3-d]pyrimidin-7-one 25
CID 5330352
3-Methyl-5-(5-methylpyridin-3-yl)-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
CID 91827383
N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10645210
8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one
CID 134817552
(3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide
CID 146681131
2-(Phenylamino)-6-(3-acetamidophenyl)pyrazine
CID 11515006
6-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719607
2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192864

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (CID 122180557) is 3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is Cc1cc2c(-c3ccccc3)cnc(NC3CCNCC3)c2[nH]c1=O.
What is the InChIKey of 3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The InChIKey is YTGHVJNUPGANNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-11-16-17(14-5-3-2-4-6-14)12-22-19(18(16)24-20(13)25)23-15-7-9-21-10-8-15/h2-6,11-12,15,21H,7-10H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one has a molecular weight of 334.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 122180557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).