N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide

C25H28N8O2 — CID 170677782

IUPACN-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
SMILESCNc1ncc(/C(N)=N/c2ccc(N3CCOCC3)cn2)c2cc(NC(=O)C3CC34CC4)ncc12
InChIInChI=1S/C25H28N8O2/c1-27-23-18-14-29-21(32-24(34)19-11-25(19)4-5-25)10-16(18)17(13-30-23)22(26)31-20-3-2-15(12-28-20)33-6-8-35-9-7-33/h2-3,10,12-14,19H,4-9,11H2,1H3,(H,27,30)(H2,26,28,31)(H,29,32,34)
InChIKeyWDPWJEAJPKAXGS-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.68
Rot. Bonds6

About N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide

N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide (PubChem CID 170677782) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide.

Molecular Properties

Compound NameN-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
PubChem CID170677782
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC NameN-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
SMILESCNc1ncc(/C(N)=N/c2ccc(N3CCOCC3)cn2)c2cc(NC(=O)C3CC34CC4)ncc12
InChIInChI=1S/C25H28N8O2/c1-27-23-18-14-29-21(32-24(34)19-11-25(19)4-5-25)10-16(18)17(13-30-23)22(26)31-20-3-2-15(12-28-20)33-6-8-35-9-7-33/h2-3,10,12-14,19H,4-9,11H2,1H3,(H,27,30)(H2,26,28,31)(H,29,32,34)
InChIKeyWDPWJEAJPKAXGS-UHFFFAOYSA-N
XLogP2.68
TPSA130.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677904
N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677804
(2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 177212540
(2S,3S)-N-[8-(difluoromethyl)-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide
CID 177212703
N-(5-morpholin-4-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 119842040
N-[8-(ethylamino)-5-(6-morpholin-4-ylpyrazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627032
(2S,4S)-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide;hydrochloride
CID 120632213
(2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide
CID 177186877
N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119842043
N-(5-morpholin-4-yl-2-pyridinyl)morpholine-3-carboxamide
CID 119841975
N-[5-[6-(4-fluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677966
1-amino-N-(5-morpholin-4-yl-2-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119842025

Frequently Asked Questions

What is the IUPAC name of N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide?
The IUPAC name of N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide (CID 170677782) is N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide.
What is the SMILES notation for N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide?
The canonical SMILES for N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide is CNc1ncc(/C(N)=N/c2ccc(N3CCOCC3)cn2)c2cc(NC(=O)C3CC34CC4)ncc12.
What is the InChIKey of N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide?
The InChIKey is WDPWJEAJPKAXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-27-23-18-14-29-21(32-24(34)19-11-25(19)4-5-25)10-16(18)17(13-30-23)22(26)31-20-3-2-15(12-28-20)33-6-8-35-9-7-33/h2-3,10,12-14,19H,4-9,11H2,1H3,(H,27,30)(H2,26,28,31)(H,29,32,34).
What are the key properties of N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide?
N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 170677782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).