N-[5-cyano-4-[(2-methoxycyclobutyl)amino]-2-pyridinyl]-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C27H31N7O5 — CID 134256071

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

N-[5-cyano-4-[(2-methoxycyclobutyl)amino]-2-pyridinyl]-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134256071) has the molecular formula C27H31N7O5 and a molecular weight of 533.59 g/mol. Its IUPAC name is N-[5-cyano-4-[(2-methoxycyclobutyl)amino]-2-pyridinyl]-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[(2-methoxycyclobutyl)amino]-2-pyridinyl]-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 134256071
• Molecular Formula: C27H31N7O5
• Molecular Weight: 533.59 g/mol
• Exact Mass: 533.24
• IUPAC Name: N-[5-cyano-4-[(2-methoxycyclobutyl)amino]-2-pyridinyl]-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(NC4CCC4OC)c(C#N)cn2)CCC3)C1=O
• InChI: InChI=1S/C27H31N7O5/c1-38-22-6-5-19(22)30-20-11-24(29-13-18(20)12-28)32-27(37)34-8-3-4-16-10-17(21(15-35)31-25(16)34)14-33-9-7-23(39-2)26(33)36/h10-11,13,15,19,22-23H,3-9,14H2,1-2H3,(H2,29,30,32,37)
• InChIKey: HQPHRDHZDXJDQJ-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 149.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.59
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-[(2-methoxycyclobutyl)amino]-2-pyridinyl]-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134256071) is N-[5-cyano-4-[(2-methoxycyclobutyl)amino]-2-pyridinyl]-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-[(2-methoxycyclobutyl)amino]-2-pyridinyl]-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(NC4CCC4OC)c(C#N)cn2)CCC3)C1=O.

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

The InChIKey is HQPHRDHZDXJDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O5/c1-38-22-6-5-19(22)30-20-11-24(29-13-18(20)12-28)32-27(37)34-8-3-4-16-10-17(21(15-35)31-25(16)34)14-33-9-7-23(39-2)26(33)36/h10-11,13,15,19,22-23H,3-9,14H2,1-2H3,(H2,29,30,32,37).

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

N-[5-cyano-4-[(2-methoxycyclobutyl)amino]-2-pyridinyl]-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 533.59 g/mol, XLogP of 2.48, 8 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-methoxycyclobutyl)amino]-2-pyridinyl]-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134256071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).