1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile

C24H22N6O — CID 171909290

IUPAC1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2nc(-c3cccnc3)nc3c2CCNC3=O)CC1
InChIInChI=1S/C24H22N6O/c25-16-24(18-6-2-1-3-7-18)9-13-30(14-10-24)22-19-8-12-27-23(31)20(19)28-21(29-22)17-5-4-11-26-15-17/h1-7,11,15H,8-10,12-14H2,(H,27,31)
InChIKeyMMLREHISBPVROO-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.89
Rot. Bonds3

About 1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile

1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 171909290) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile
PubChem CID171909290
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2nc(-c3cccnc3)nc3c2CCNC3=O)CC1
InChIInChI=1S/C24H22N6O/c25-16-24(18-6-2-1-3-7-18)9-13-30(14-10-24)22-19-8-12-27-23(31)20(19)28-21(29-22)17-5-4-11-26-15-17/h1-7,11,15H,8-10,12-14H2,(H,27,31)
InChIKeyMMLREHISBPVROO-UHFFFAOYSA-N
XLogP2.89
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387770
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386018
4-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388176
4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387506
4-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388926
2-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171906541
2-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386787
2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387661
2-pyridin-3-yl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385384
1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile
CID 11242964
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
2-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387424

Frequently Asked Questions

What is the IUPAC name of 1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile (CID 171909290) is 1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(c2nc(-c3cccnc3)nc3c2CCNC3=O)CC1.
What is the InChIKey of 1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is MMLREHISBPVROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c25-16-24(18-6-2-1-3-7-18)9-13-30(14-10-24)22-19-8-12-27-23(31)20(19)28-21(29-22)17-5-4-11-26-15-17/h1-7,11,15H,8-10,12-14H2,(H,27,31).
What are the key properties of 1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile?
1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 410.48 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 171909290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).