N-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C19H20N6O2 — CID 118041381

IUPACN-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCN(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2
InChIInChI=1S/C19H20N6O2/c1-24(2)11-15-8-14-4-3-7-25(18(14)22-16(15)12-26)19(27)23-17-6-5-13(9-20)10-21-17/h5-6,8,10,12H,3-4,7,11H2,1-2H3,(H,21,23,27)
InChIKeyVRSRHEKCWDTVRL-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.21
Rot. Bonds4

About N-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118041381) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118041381
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCN(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2
InChIInChI=1S/C19H20N6O2/c1-24(2)11-15-8-14-4-3-7-25(18(14)22-16(15)12-26)19(27)23-17-6-5-13(9-20)10-21-17/h5-6,8,10,12H,3-4,7,11H2,1-2H3,(H,21,23,27)
InChIKeyVRSRHEKCWDTVRL-UHFFFAOYSA-N
XLogP2.21
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118041381) is N-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is VRSRHEKCWDTVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-24(2)11-15-8-14-4-3-7-25(18(14)22-16(15)12-26)19(27)23-17-6-5-13(9-20)10-21-17/h5-6,8,10,12H,3-4,7,11H2,1-2H3,(H,21,23,27).
What are the key properties of N-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-6-[(dimethylamino)methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118041381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).