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

C24H24N6O — CID 73052716

IUPAC1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
SMILESCc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C24H24N6O/c1-15-12-18-17(22(25)31)8-5-9-21(18)30(15)24-28-20-10-11-26-14-19(20)23(29-24)27-13-16-6-3-2-4-7-16/h2-9,12,26H,10-11,13-14H2,1H3,(H2,25,31)(H,27,28,29)
InChIKeyJYYSDZNVELJCGG-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.09
Rot. Bonds5

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

1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide (PubChem CID 73052716) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
PubChem CID73052716
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
SMILESCc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C24H24N6O/c1-15-12-18-17(22(25)31)8-5-9-21(18)30(15)24-28-20-10-11-26-14-19(20)23(29-24)27-13-16-6-3-2-4-7-16/h2-9,12,26H,10-11,13-14H2,1H3,(H2,25,31)(H,27,28,29)
InChIKeyJYYSDZNVELJCGG-UHFFFAOYSA-N
XLogP3.09
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide?
The IUPAC name of 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide (CID 73052716) is 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide.
What is the SMILES notation for 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide?
The canonical SMILES for 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide is Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2.
What is the InChIKey of 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide?
The InChIKey is JYYSDZNVELJCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-15-12-18-17(22(25)31)8-5-9-21(18)30(15)24-28-20-10-11-26-14-19(20)23(29-24)27-13-16-6-3-2-4-7-16/h2-9,12,26H,10-11,13-14H2,1H3,(H2,25,31)(H,27,28,29).
What are the key properties of 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide?
1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide is sourced from PubChem (CID 73052716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).