N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine

C26H26N6O — CID 155521057

IUPACN-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine
SMILESCOc1ncc(N2CCc3ncnc(-c4ccnc(NCc5ccccc5)c4)c3C2)cc1C
InChIInChI=1S/C26H26N6O/c1-18-12-21(15-29-26(18)33-2)32-11-9-23-22(16-32)25(31-17-30-23)20-8-10-27-24(13-20)28-14-19-6-4-3-5-7-19/h3-8,10,12-13,15,17H,9,11,14,16H2,1-2H3,(H,27,28)
InChIKeyIAWMFVJZXGUEJJ-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.43
Rot. Bonds6

About N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine

N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine (PubChem CID 155521057) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine
PubChem CID155521057
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC NameN-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine
SMILESCOc1ncc(N2CCc3ncnc(-c4ccnc(NCc5ccccc5)c4)c3C2)cc1C
InChIInChI=1S/C26H26N6O/c1-18-12-21(15-29-26(18)33-2)32-11-9-23-22(16-32)25(31-17-30-23)20-8-10-27-24(13-20)28-14-19-6-4-3-5-7-19/h3-8,10,12-13,15,17H,9,11,14,16H2,1-2H3,(H,27,28)
InChIKeyIAWMFVJZXGUEJJ-UHFFFAOYSA-N
XLogP4.43
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine (CID 155521057) is N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine is COc1ncc(N2CCc3ncnc(-c4ccnc(NCc5ccccc5)c4)c3C2)cc1C.
What is the InChIKey of N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine?
The InChIKey is IAWMFVJZXGUEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-18-12-21(15-29-26(18)33-2)32-11-9-23-22(16-32)25(31-17-30-23)20-8-10-27-24(13-20)28-14-19-6-4-3-5-7-19/h3-8,10,12-13,15,17H,9,11,14,16H2,1-2H3,(H,27,28).
What are the key properties of N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine?
N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine has a molecular weight of 438.54 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 155521057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).