7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C15H15N5O3 — CID 118036941

IUPAC7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncn1
InChIInChI=1S/C15H15N5O3/c1-23-13-7-12(16-9-17-13)19-15(22)20-6-2-3-10-4-5-11(8-21)18-14(10)20/h4-5,7-9H,2-3,6H2,1H3,(H,16,17,19,22)
InChIKeyYDOWNXUXEDCCQF-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.68
Rot. Bonds3

About 7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036941) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036941
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncn1
InChIInChI=1S/C15H15N5O3/c1-23-13-7-12(16-9-17-13)19-15(22)20-6-2-3-10-4-5-11(8-21)18-14(10)20/h4-5,7-9H,2-3,6H2,1H3,(H,16,17,19,22)
InChIKeyYDOWNXUXEDCCQF-UHFFFAOYSA-N
XLogP1.68
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036278
N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036877
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 162672012
6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036192
N-(5-cyano-4-methoxypyridin-2-yl)-7-formyl-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 118036202
N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036414
N-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036466
N-[5-cyano-4-(2-methoxyethoxy)pyridin-2-yl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036467
6-[[acetyl(propan-2-yl)amino]methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036530
N-[5-cyano-4-(2-methoxyethoxy)pyridin-2-yl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036639
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036824
7-formyl-N-pyridin-2-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118037014

Frequently Asked Questions

What is the IUPAC name of 7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036941) is 7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncn1.
What is the InChIKey of 7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is YDOWNXUXEDCCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-23-13-7-12(16-9-17-13)19-15(22)20-6-2-3-10-4-5-11(8-21)18-14(10)20/h4-5,7-9H,2-3,6H2,1H3,(H,16,17,19,22).
What are the key properties of 7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).