6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C18H20N6O — CID 123552683

IUPAC6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILES[H]/N=C/C/C(=N\C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C18H20N6O/c1-21-16(4-5-19)15-8-13(9-22-10-15)14-7-12-3-2-6-24(18(20)25)17(12)23-11-14/h5,7-11,19H,2-4,6H2,1H3,(H2,20,25)/b19-5+,21-16+
InChIKeyPLADNFCVIJKKHK-DJLLDNSBSA-N
MW336.40 g/mol
LogP2.43
Rot. Bonds4

About 6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 123552683) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID123552683
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILES[H]/N=C/C/C(=N\C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C18H20N6O/c1-21-16(4-5-19)15-8-13(9-22-10-15)14-7-12-3-2-6-24(18(20)25)17(12)23-11-14/h5,7-11,19H,2-4,6H2,1H3,(H2,20,25)/b19-5+,21-16+
InChIKeyPLADNFCVIJKKHK-DJLLDNSBSA-N
XLogP2.43
TPSA108.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 123552683) is 6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is [H]/N=C/C/C(=N\C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is PLADNFCVIJKKHK-DJLLDNSBSA-N. The full InChI is InChI=1S/C18H20N6O/c1-21-16(4-5-19)15-8-13(9-22-10-15)14-7-12-3-2-6-24(18(20)25)17(12)23-11-14/h5,7-11,19H,2-4,6H2,1H3,(H2,20,25)/b19-5+,21-16+.
What are the key properties of 6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 123552683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).