3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide

C18H20N6O — CID 75434699

IUPAC3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNc1ncnc2nc(N)ccc12
InChIInChI=1S/C18H20N6O/c1-24(11-13-5-3-2-4-6-13)16(25)9-10-20-17-14-7-8-15(19)23-18(14)22-12-21-17/h2-8,12H,9-11H2,1H3,(H3,19,20,21,22,23)
InChIKeyNSFKTUOXXMUTCU-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.07
Rot. Bonds6

About 3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide

3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide (PubChem CID 75434699) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide
PubChem CID75434699
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNc1ncnc2nc(N)ccc12
InChIInChI=1S/C18H20N6O/c1-24(11-13-5-3-2-4-6-13)16(25)9-10-20-17-14-7-8-15(19)23-18(14)22-12-21-17/h2-8,12H,9-11H2,1H3,(H3,19,20,21,22,23)
InChIKeyNSFKTUOXXMUTCU-UHFFFAOYSA-N
XLogP2.07
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide?
The IUPAC name of 3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide (CID 75434699) is 3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide.
What is the SMILES notation for 3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide?
The canonical SMILES for 3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCNc1ncnc2nc(N)ccc12.
What is the InChIKey of 3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide?
The InChIKey is NSFKTUOXXMUTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-24(11-13-5-3-2-4-6-13)16(25)9-10-20-17-14-7-8-15(19)23-18(14)22-12-21-17/h2-8,12H,9-11H2,1H3,(H3,19,20,21,22,23).
What are the key properties of 3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide?
3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide has a molecular weight of 336.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 75434699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).