N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C25H29N7O2 — CID 118036627

IUPACN-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCN1CCC2(CCN(c3cc(NC(=O)N4CCCc5ccc(C=O)nc54)ncc3C#N)CC2)C1
InChIInChI=1S/C25H29N7O2/c1-30-10-6-25(17-30)7-11-31(12-8-25)21-13-22(27-15-19(21)14-26)29-24(34)32-9-2-3-18-4-5-20(16-33)28-23(18)32/h4-5,13,15-16H,2-3,6-12,17H2,1H3,(H,27,29,34)
InChIKeyLGRGVHQCZSWHGC-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.07
Rot. Bonds3

About N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036627) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036627
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC NameN-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCN1CCC2(CCN(c3cc(NC(=O)N4CCCc5ccc(C=O)nc54)ncc3C#N)CC2)C1
InChIInChI=1S/C25H29N7O2/c1-30-10-6-25(17-30)7-11-31(12-8-25)21-13-22(27-15-19(21)14-26)29-24(34)32-9-2-3-18-4-5-20(16-33)28-23(18)32/h4-5,13,15-16H,2-3,6-12,17H2,1H3,(H,27,29,34)
InChIKeyLGRGVHQCZSWHGC-UHFFFAOYSA-N
XLogP3.07
TPSA105.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036627) is N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN1CCC2(CCN(c3cc(NC(=O)N4CCCc5ccc(C=O)nc54)ncc3C#N)CC2)C1.
What is the InChIKey of N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is LGRGVHQCZSWHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-30-10-6-25(17-30)7-11-31(12-8-25)21-13-22(27-15-19(21)14-26)29-24(34)32-9-2-3-18-4-5-20(16-33)28-23(18)32/h4-5,13,15-16H,2-3,6-12,17H2,1H3,(H,27,29,34).
What are the key properties of N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).