N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide

C11H11N5O2 — CID 10802802

IUPACN-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc2c(=O)c(C(=O)N=C(N)N)c[nH]c2n1
InChIInChI=1S/C11H11N5O2/c1-5-2-3-6-8(17)7(4-14-9(6)15-5)10(18)16-11(12)13/h2-4H,1H3,(H,14,15,17)(H4,12,13,16,18)
InChIKeyQCQYAKAEWAOAGZ-UHFFFAOYSA-N
MW245.24 g/mol
LogP-0.35
Rot. Bonds1

About N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide

N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 10802802) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
PubChem CID10802802
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC NameN-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc2c(=O)c(C(=O)N=C(N)N)c[nH]c2n1
InChIInChI=1S/C11H11N5O2/c1-5-2-3-6-8(17)7(4-14-9(6)15-5)10(18)16-11(12)13/h2-4H,1H3,(H,14,15,17)(H4,12,13,16,18)
InChIKeyQCQYAKAEWAOAGZ-UHFFFAOYSA-N
XLogP-0.35
TPSA127.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide (CID 10802802) is N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide is Cc1ccc2c(=O)c(C(=O)N=C(N)N)c[nH]c2n1.
What is the InChIKey of N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is QCQYAKAEWAOAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-5-2-3-6-8(17)7(4-14-9(6)15-5)10(18)16-11(12)13/h2-4H,1H3,(H,14,15,17)(H4,12,13,16,18).
What are the key properties of N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 245.24 g/mol, XLogP of -0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10802802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).