7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

About 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 175885977) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name	7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID	175885977
Molecular Formula	C25H27N5O3
Molecular Weight	445.52 g/mol
Exact Mass	445.21
IUPAC Name	7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILES	CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1CCc1ccccn1
InChI	InChI=1S/C25H27N5O3/c1-17(2)33-22-14-23(27-15-19(22)9-10-20-7-3-4-12-26-20)29-25(32)30-13-5-6-18-8-11-21(16-31)28-24(18)30/h3-4,7-8,11-12,14-17H,5-6,9-10,13H2,1-2H3,(H,27,29,32)
InChIKey	WIRZKGLXVJGRQY-UHFFFAOYSA-N
XLogP	4.24
TPSA	97.31 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 175885977) is 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1CCc1ccccn1.

What is the InChIKey of 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is WIRZKGLXVJGRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17(2)33-22-14-23(27-15-19(22)9-10-20-7-3-4-12-26-20)29-25(32)30-13-5-6-18-8-11-21(16-31)28-24(18)30/h3-4,7-8,11-12,14-17H,5-6,9-10,13H2,1-2H3,(H,27,29,32).

What are the key properties of 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 175885977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).