2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile

C24H24N6 — CID 25062946

IUPAC2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile
SMILESCc1ccc(N2CCc3ncnc(NCc4ccc(C5CC5)cn4)c3C2)c(C#N)c1
InChIInChI=1S/C24H24N6/c1-16-2-7-23(19(10-16)11-25)30-9-8-22-21(14-30)24(29-15-28-22)27-13-20-6-5-18(12-26-20)17-3-4-17/h2,5-7,10,12,15,17H,3-4,8-9,13-14H2,1H3,(H,27,28,29)
InChIKeyUZBQPRXVKUBNPY-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.10
Rot. Bonds5

About 2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile

2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile (PubChem CID 25062946) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile
PubChem CID25062946
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile
SMILESCc1ccc(N2CCc3ncnc(NCc4ccc(C5CC5)cn4)c3C2)c(C#N)c1
InChIInChI=1S/C24H24N6/c1-16-2-7-23(19(10-16)11-25)30-9-8-22-21(14-30)24(29-15-28-22)27-13-20-6-5-18(12-26-20)17-3-4-17/h2,5-7,10,12,15,17H,3-4,8-9,13-14H2,1H3,(H,27,28,29)
InChIKeyUZBQPRXVKUBNPY-UHFFFAOYSA-N
XLogP4.10
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile?
The IUPAC name of 2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile (CID 25062946) is 2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile.
What is the SMILES notation for 2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile?
The canonical SMILES for 2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile is Cc1ccc(N2CCc3ncnc(NCc4ccc(C5CC5)cn4)c3C2)c(C#N)c1.
What is the InChIKey of 2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile?
The InChIKey is UZBQPRXVKUBNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-16-2-7-23(19(10-16)11-25)30-9-8-22-21(14-30)24(29-15-28-22)27-13-20-6-5-18(12-26-20)17-3-4-17/h2,5-7,10,12,15,17H,3-4,8-9,13-14H2,1H3,(H,27,28,29).
What are the key properties of 2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile?
2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile has a molecular weight of 396.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-cyclopropyl-2-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile is sourced from PubChem (CID 25062946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).