2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine

C18H16ClN5 — CID 148886481

IUPAC2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine
SMILESC/N=C/C(=C(N)c1cccnc1C)c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C18H16ClN5/c1-11-13(4-3-7-22-11)18(20)14(10-21-2)12-8-16-15(23-9-12)5-6-17(19)24-16/h3-10H,20H2,1-2H3/b18-14?,21-10+
InChIKeyMZBREAVBYGUFAP-PNJNBRTESA-N
MW337.81 g/mol
LogP3.51
Rot. Bonds3

About 2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine

2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine (PubChem CID 148886481) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine.

Molecular Properties

Compound Name2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine
PubChem CID148886481
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC Name2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine
SMILESC/N=C/C(=C(N)c1cccnc1C)c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C18H16ClN5/c1-11-13(4-3-7-22-11)18(20)14(10-21-2)12-8-16-15(23-9-12)5-6-17(19)24-16/h3-10H,20H2,1-2H3/b18-14?,21-10+
InChIKeyMZBREAVBYGUFAP-PNJNBRTESA-N
XLogP3.51
TPSA77.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine?
The IUPAC name of 2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine (CID 148886481) is 2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine.
What is the SMILES notation for 2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine?
The canonical SMILES for 2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine is C/N=C/C(=C(N)c1cccnc1C)c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of 2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine?
The InChIKey is MZBREAVBYGUFAP-PNJNBRTESA-N. The full InChI is InChI=1S/C18H16ClN5/c1-11-13(4-3-7-22-11)18(20)14(10-21-2)12-8-16-15(23-9-12)5-6-17(19)24-16/h3-10H,20H2,1-2H3/b18-14?,21-10+.
What are the key properties of 2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine?
2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine has a molecular weight of 337.81 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,5-naphthyridin-3-yl)-3-methylimino-1-(2-methyl-3-pyridinyl)prop-1-en-1-amine is sourced from PubChem (CID 148886481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).