4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide

C20H22N6O2 — CID 22225291

IUPAC4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide
SMILESCc1nc(NCCN)nc2c1ccc(=O)n2-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C20H22N6O2/c1-12-16-8-9-17(27)26(18(16)25-20(23-12)22-11-10-21)15-6-2-13(3-7-15)19(28)24-14-4-5-14/h2-3,6-9,14H,4-5,10-11,21H2,1H3,(H,24,28)(H,22,23,25)
InChIKeyTZJYCTMRHZFORR-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.35
Rot. Bonds6

About 4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide

4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide (PubChem CID 22225291) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide
PubChem CID22225291
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide
SMILESCc1nc(NCCN)nc2c1ccc(=O)n2-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C20H22N6O2/c1-12-16-8-9-17(27)26(18(16)25-20(23-12)22-11-10-21)15-6-2-13(3-7-15)19(28)24-14-4-5-14/h2-3,6-9,14H,4-5,10-11,21H2,1H3,(H,24,28)(H,22,23,25)
InChIKeyTZJYCTMRHZFORR-UHFFFAOYSA-N
XLogP1.35
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide (CID 22225291) is 4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide is Cc1nc(NCCN)nc2c1ccc(=O)n2-c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide?
The InChIKey is TZJYCTMRHZFORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12-16-8-9-17(27)26(18(16)25-20(23-12)22-11-10-21)15-6-2-13(3-7-15)19(28)24-14-4-5-14/h2-3,6-9,14H,4-5,10-11,21H2,1H3,(H,24,28)(H,22,23,25).
What are the key properties of 4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide?
4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide has a molecular weight of 378.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 22225291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).