1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

C26H30N6O2 — CID 127041883

IUPAC1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCc3nc(-c4ccccn4)nc(N4CCC(C(N)=O)CC4)c3C2)cc1
InChIInChI=1S/C26H30N6O2/c1-34-20-7-5-18(6-8-20)16-31-13-11-22-21(17-31)26(32-14-9-19(10-15-32)24(27)33)30-25(29-22)23-4-2-3-12-28-23/h2-8,12,19H,9-11,13-17H2,1H3,(H2,27,33)
InChIKeyBXMLUNFOGYHTLD-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.81
Rot. Bonds6

About 1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 127041883) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID127041883
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCc3nc(-c4ccccn4)nc(N4CCC(C(N)=O)CC4)c3C2)cc1
InChIInChI=1S/C26H30N6O2/c1-34-20-7-5-18(6-8-20)16-31-13-11-22-21(17-31)26(32-14-9-19(10-15-32)24(27)33)30-25(29-22)23-4-2-3-12-28-23/h2-8,12,19H,9-11,13-17H2,1H3,(H2,27,33)
InChIKeyBXMLUNFOGYHTLD-UHFFFAOYSA-N
XLogP2.81
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 127041883) is 1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is COc1ccc(CN2CCc3nc(-c4ccccn4)nc(N4CCC(C(N)=O)CC4)c3C2)cc1.
What is the InChIKey of 1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is BXMLUNFOGYHTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-34-20-7-5-18(6-8-20)16-31-13-11-22-21(17-31)26(32-14-9-19(10-15-32)24(27)33)30-25(29-22)23-4-2-3-12-28-23/h2-8,12,19H,9-11,13-17H2,1H3,(H2,27,33).
What are the key properties of 1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 127041883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).