N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide

C20H15BrN6O — CID 57297049

IUPACN-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide
SMILESCN(C=O)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1
InChIInChI=1S/C20H15BrN6O/c1-27(11-28)17-6-5-13(9-23-17)16-8-15(12-3-2-4-14(21)7-12)18-19(22)24-10-25-20(18)26-16/h2-11H,1H3,(H2,22,24,25,26)
InChIKeyZGCOKVCKAKJQTD-UHFFFAOYSA-N
MW435.29 g/mol
LogP3.69
Rot. Bonds4

About N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide

N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide (PubChem CID 57297049) has the molecular formula C20H15BrN6O and a molecular weight of 435.29 g/mol. Its IUPAC name is N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide.

Molecular Properties

Compound NameN-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide
PubChem CID57297049
Molecular FormulaC20H15BrN6O
Molecular Weight435.29 g/mol
Exact Mass434.05
IUPAC NameN-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide
SMILESCN(C=O)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1
InChIInChI=1S/C20H15BrN6O/c1-27(11-28)17-6-5-13(9-23-17)16-8-15(12-3-2-4-14(21)7-12)18-19(22)24-10-25-20(18)26-16/h2-11H,1H3,(H2,22,24,25,26)
InChIKeyZGCOKVCKAKJQTD-UHFFFAOYSA-N
XLogP3.69
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide?
The IUPAC name of N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide (CID 57297049) is N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide.
What is the SMILES notation for N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide?
The canonical SMILES for N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide is CN(C=O)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1.
What is the InChIKey of N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide?
The InChIKey is ZGCOKVCKAKJQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN6O/c1-27(11-28)17-6-5-13(9-23-17)16-8-15(12-3-2-4-14(21)7-12)18-19(22)24-10-25-20(18)26-16/h2-11H,1H3,(H2,22,24,25,26).
What are the key properties of N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide?
N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide has a molecular weight of 435.29 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide is sourced from PubChem (CID 57297049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).