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

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 138683478) has the molecular formula C25H29N7O5 and a molecular weight of 507.55 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[[(3S)-oxolane-3-carbonyl]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-[[[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID	138683478
Molecular Formula	C25H29N7O5
Molecular Weight	507.55 g/mol
Exact Mass	507.22
IUPAC Name	N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILES	COCCNc1cc(NC(=O)N2CCCc3cc(CNC(=O)[C@H]4CCOC4)c(C=O)nc32)ncc1C#N
InChI	InChI=1S/C25H29N7O5/c1-36-8-5-27-20-10-22(28-13-19(20)11-26)31-25(35)32-6-2-3-16-9-18(21(14-33)30-23(16)32)12-29-24(34)17-4-7-37-15-17/h9-10,13-14,17H,2-8,12,15H2,1H3,(H,29,34)(H2,27,28,31,35)/t17-/m0/s1
InChIKey	YOLNRCZGTCYAML-KRWDZBQOSA-N
XLogP	1.86
TPSA	158.57 Å²
H-Bond Donors	3
H-Bond Acceptors	9
Rotatable Bonds	9
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.55
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	3
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-[[[(3S)-oxolane-3-carbonyl]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-[[[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 138683478) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[[(3S)-oxolane-3-carbonyl]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-[[[(3S)-oxolane-3-carbonyl]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-[[[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(CNC(=O)[C@H]4CCOC4)c(C=O)nc32)ncc1C#N.

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

The InChIKey is YOLNRCZGTCYAML-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H29N7O5/c1-36-8-5-27-20-10-22(28-13-19(20)11-26)31-25(35)32-6-2-3-16-9-18(21(14-33)30-23(16)32)12-29-24(34)17-4-7-37-15-17/h9-10,13-14,17H,2-8,12,15H2,1H3,(H,29,34)(H2,27,28,31,35)/t17-/m0/s1.

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 507.55 g/mol, XLogP of 1.86, 9 rotatable bonds, 3 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-[[[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 138683478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).