N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide

C16H15N5O — CID 5328248

IUPACN-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
SMILESCC(=O)Nc1cc2ncnc(NCc3ccccc3)c2cn1
InChIInChI=1S/C16H15N5O/c1-11(22)21-15-7-14-13(9-17-15)16(20-10-19-14)18-8-12-5-3-2-4-6-12/h2-7,9-10H,8H2,1H3,(H,17,21,22)(H,18,19,20)
InChIKeyPVCHTGBTKFGXJK-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.60
Rot. Bonds4

About N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide

N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide (PubChem CID 5328248) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
PubChem CID5328248
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
SMILESCC(=O)Nc1cc2ncnc(NCc3ccccc3)c2cn1
InChIInChI=1S/C16H15N5O/c1-11(22)21-15-7-14-13(9-17-15)16(20-10-19-14)18-8-12-5-3-2-4-6-12/h2-7,9-10H,8H2,1H3,(H,17,21,22)(H,18,19,20)
InChIKeyPVCHTGBTKFGXJK-UHFFFAOYSA-N
XLogP2.60
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ly-3009120
CID 71721540
N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Zipalertinib
CID 117918742
Sgi-1027
CID 24858111
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}prop-2-enamide
CID 5329069

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide?
The IUPAC name of N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide (CID 5328248) is N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide.
What is the SMILES notation for N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide?
The canonical SMILES for N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide is CC(=O)Nc1cc2ncnc(NCc3ccccc3)c2cn1.
What is the InChIKey of N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide?
The InChIKey is PVCHTGBTKFGXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-11(22)21-15-7-14-13(9-17-15)16(20-10-19-14)18-8-12-5-3-2-4-6-12/h2-7,9-10H,8H2,1H3,(H,17,21,22)(H,18,19,20).
What are the key properties of N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide?
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide is sourced from PubChem (CID 5328248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).