N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide

C20H21ClN6 — CID 142127242

IUPACN-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide
SMILESC=C(N/C(C)=N/CCC)Nc1nc(-c2ccccc2Cl)nc2ncccc12
InChIInChI=1S/C20H21ClN6/c1-4-11-22-13(2)24-14(3)25-20-16-9-7-12-23-18(16)26-19(27-20)15-8-5-6-10-17(15)21/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)(H,23,25,26,27)
InChIKeyQQZCZDNTXROUJP-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.65
Rot. Bonds6

About N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide

N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide (PubChem CID 142127242) has the molecular formula C20H21ClN6 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide.

Molecular Properties

Compound NameN-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide
PubChem CID142127242
Molecular FormulaC20H21ClN6
Molecular Weight380.88 g/mol
Exact Mass380.15
IUPAC NameN-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide
SMILESC=C(N/C(C)=N/CCC)Nc1nc(-c2ccccc2Cl)nc2ncccc12
InChIInChI=1S/C20H21ClN6/c1-4-11-22-13(2)24-14(3)25-20-16-9-7-12-23-18(16)26-19(27-20)15-8-5-6-10-17(15)21/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)(H,23,25,26,27)
InChIKeyQQZCZDNTXROUJP-UHFFFAOYSA-N
XLogP4.65
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide?
The IUPAC name of N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide (CID 142127242) is N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide.
What is the SMILES notation for N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide?
The canonical SMILES for N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide is C=C(N/C(C)=N/CCC)Nc1nc(-c2ccccc2Cl)nc2ncccc12.
What is the InChIKey of N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide?
The InChIKey is QQZCZDNTXROUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6/c1-4-11-22-13(2)24-14(3)25-20-16-9-7-12-23-18(16)26-19(27-20)15-8-5-6-10-17(15)21/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)(H,23,25,26,27).
What are the key properties of N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide?
N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide has a molecular weight of 380.88 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide is sourced from PubChem (CID 142127242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).