8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

C20H17ClN4O — CID 170792029

IUPAC8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCn1c(=O)cc(N(CC2CC2)c2cccc(Cl)c2)c2nc(C#N)ccc21
InChIInChI=1S/C20H17ClN4O/c1-24-17-8-7-15(11-22)23-20(17)18(10-19(24)26)25(12-13-5-6-13)16-4-2-3-14(21)9-16/h2-4,7-10,13H,5-6,12H2,1H3
InChIKeyCSGCTYYAMSHXAD-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.01
Rot. Bonds4

About 8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 170792029) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID170792029
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCn1c(=O)cc(N(CC2CC2)c2cccc(Cl)c2)c2nc(C#N)ccc21
InChIInChI=1S/C20H17ClN4O/c1-24-17-8-7-15(11-22)23-20(17)18(10-19(24)26)25(12-13-5-6-13)16-4-2-3-14(21)9-16/h2-4,7-10,13H,5-6,12H2,1H3
InChIKeyCSGCTYYAMSHXAD-UHFFFAOYSA-N
XLogP4.01
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 170792029) is 8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is Cn1c(=O)cc(N(CC2CC2)c2cccc(Cl)c2)c2nc(C#N)ccc21.
What is the InChIKey of 8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is CSGCTYYAMSHXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-24-17-8-7-15(11-22)23-20(17)18(10-19(24)26)25(12-13-5-6-13)16-4-2-3-14(21)9-16/h2-4,7-10,13H,5-6,12H2,1H3.
What are the key properties of 8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 364.84 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 170792029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).