N-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide

C18H24N6O2 — CID 139387615

IUPACN-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide
SMILESCC(/N=C(\C=O)Nc1ccnc(N)c1)=C1\C(=O)NC2(CCCCC2)N1C
InChIInChI=1S/C18H24N6O2/c1-12(21-15(11-25)22-13-6-9-20-14(19)10-13)16-17(26)23-18(24(16)2)7-4-3-5-8-18/h6,9-11H,3-5,7-8H2,1-2H3,(H,23,26)(H3,19,20,21,22)/b16-12-
InChIKeyNDHFRCLELIZVTH-VBKFSLOCSA-N
MW356.43 g/mol
LogP1.63
Rot. Bonds3

About N-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide

N-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide (PubChem CID 139387615) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide.

Molecular Properties

Compound NameN-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide
PubChem CID139387615
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide
SMILESCC(/N=C(\C=O)Nc1ccnc(N)c1)=C1\C(=O)NC2(CCCCC2)N1C
InChIInChI=1S/C18H24N6O2/c1-12(21-15(11-25)22-13-6-9-20-14(19)10-13)16-17(26)23-18(24(16)2)7-4-3-5-8-18/h6,9-11H,3-5,7-8H2,1-2H3,(H,23,26)(H3,19,20,21,22)/b16-12-
InChIKeyNDHFRCLELIZVTH-VBKFSLOCSA-N
XLogP1.63
TPSA112.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[(4-aminopyrimidin-2-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 162654959
2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113406477
8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one
CID 146651082
2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one
CID 169086803
2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone
CID 80684491
N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide
CID 162247668
1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
CID 119827128
4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one
CID 150763425
N-(3-amino-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119419131
1-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79235812
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide?
The IUPAC name of N-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide (CID 139387615) is N-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide.
What is the SMILES notation for N-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide?
The canonical SMILES for N-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide is CC(/N=C(\C=O)Nc1ccnc(N)c1)=C1\C(=O)NC2(CCCCC2)N1C.
What is the InChIKey of N-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide?
The InChIKey is NDHFRCLELIZVTH-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12(21-15(11-25)22-13-6-9-20-14(19)10-13)16-17(26)23-18(24(16)2)7-4-3-5-8-18/h6,9-11H,3-5,7-8H2,1-2H3,(H,23,26)(H3,19,20,21,22)/b16-12-.
What are the key properties of N-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide?
N-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide has a molecular weight of 356.43 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-pyridinyl)-N'-[(1Z)-1-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)ethyl]-2-oxoethanimidamide is sourced from PubChem (CID 139387615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).