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

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[formyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134256074) has the molecular formula C26H31N7O5 and a molecular weight of 521.58 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[formyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name	N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[formyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID	134256074
Molecular Formula	C26H31N7O5
Molecular Weight	521.58 g/mol
Exact Mass	521.24
IUPAC Name	N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[formyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILES	COCCNc1cc(NC(=O)N2CCCc3cc(CN(C=O)CC4CCCO4)c(C=O)nc32)ncc1C#N
InChI	InChI=1S/C26H31N7O5/c1-37-9-6-28-22-11-24(29-13-20(22)12-27)31-26(36)33-7-2-4-18-10-19(23(16-34)30-25(18)33)14-32(17-35)15-21-5-3-8-38-21/h10-11,13,16-17,21H,2-9,14-15H2,1H3,(H2,28,29,31,36)
InChIKey	WHBJNPYTHQVTSZ-UHFFFAOYSA-N
XLogP	2.34
TPSA	149.78 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	11
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.58
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[formyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[formyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134256074) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[formyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[formyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[formyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(CN(C=O)CC4CCCO4)c(C=O)nc32)ncc1C#N.

What is the InChIKey of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[formyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is WHBJNPYTHQVTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O5/c1-37-9-6-28-22-11-24(29-13-20(22)12-27)31-26(36)33-7-2-4-18-10-19(23(16-34)30-25(18)33)14-32(17-35)15-21-5-3-8-38-21/h10-11,13,16-17,21H,2-9,14-15H2,1H3,(H2,28,29,31,36).

What are the key properties of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[formyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[formyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 521.58 g/mol, XLogP of 2.34, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[formyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134256074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).