1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide

C18H22N6O — CID 56870477

IUPAC1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc(-c3cccnc3)nc3c2CCNC3)C1
InChIInChI=1S/C18H22N6O/c19-16(25)13-4-2-8-24(11-13)18-14-5-7-21-10-15(14)22-17(23-18)12-3-1-6-20-9-12/h1,3,6,9,13,21H,2,4-5,7-8,10-11H2,(H2,19,25)
InChIKeyOJZQOGIPSALGKL-UHFFFAOYSA-N
MW338.42 g/mol
LogP0.89
Rot. Bonds3

About 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide

1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 56870477) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID56870477
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc(-c3cccnc3)nc3c2CCNC3)C1
InChIInChI=1S/C18H22N6O/c19-16(25)13-4-2-8-24(11-13)18-14-5-7-21-10-15(14)22-17(23-18)12-3-1-6-20-9-12/h1,3,6,9,13,21H,2,4-5,7-8,10-11H2,(H2,19,25)
InChIKeyOJZQOGIPSALGKL-UHFFFAOYSA-N
XLogP0.89
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 95714707
4-[3-(propoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56871932
(3R)-N-ethyl-1-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95222188
ethyl 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 5261006
(3S)-1-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 95207884
2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide
CID 166225591
N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 129324704
1,4-diazepan-1-yl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 95219225
[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45229762
4-[(3R)-3-phenylpiperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 95723333
4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 5261004
(3-hydroxyazetidin-1-yl)-[(3R)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 95199077

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 56870477) is 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2nc(-c3cccnc3)nc3c2CCNC3)C1.
What is the InChIKey of 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is OJZQOGIPSALGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c19-16(25)13-4-2-8-24(11-13)18-14-5-7-21-10-15(14)22-17(23-18)12-3-1-6-20-9-12/h1,3,6,9,13,21H,2,4-5,7-8,10-11H2,(H2,19,25).
What are the key properties of 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56870477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).