6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide

C16H22N6O3 — CID 175850420

IUPAC6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide
SMILESCC(=NO)C(=O)N1CCC2(CC1)CC(Nc1cc(C(N)=O)ncn1)C2
InChIInChI=1S/C16H22N6O3/c1-10(21-25)15(24)22-4-2-16(3-5-22)7-11(8-16)20-13-6-12(14(17)23)18-9-19-13/h6,9,11,25H,2-5,7-8H2,1H3,(H2,17,23)(H,18,19,20)
InChIKeyBDTOTGJKUNTQTM-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.61
Rot. Bonds4

About 6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide

6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide (PubChem CID 175850420) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide
PubChem CID175850420
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide
SMILESCC(=NO)C(=O)N1CCC2(CC1)CC(Nc1cc(C(N)=O)ncn1)C2
InChIInChI=1S/C16H22N6O3/c1-10(21-25)15(24)22-4-2-16(3-5-22)7-11(8-16)20-13-6-12(14(17)23)18-9-19-13/h6,9,11,25H,2-5,7-8H2,1H3,(H2,17,23)(H,18,19,20)
InChIKeyBDTOTGJKUNTQTM-UHFFFAOYSA-N
XLogP0.61
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 175892409
6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
CID 167761700
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[7-(4-methyl-2-oxopentanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide
CID 156773358
6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid
CID 131142279
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890
N-[[3-[(6-carbamoylpyrimidin-4-yl)amino]-1-fluorocyclobutyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 167848702
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine
CID 164653582
6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid
CID 165146859
6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide
CID 167819953
6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxamide;1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-ol
CID 142428492
[6-(cyclopentylamino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109341271

Frequently Asked Questions

What is the IUPAC name of 6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide?
The IUPAC name of 6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide (CID 175850420) is 6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide is CC(=NO)C(=O)N1CCC2(CC1)CC(Nc1cc(C(N)=O)ncn1)C2.
What is the InChIKey of 6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide?
The InChIKey is BDTOTGJKUNTQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-10(21-25)15(24)22-4-2-16(3-5-22)7-11(8-16)20-13-6-12(14(17)23)18-9-19-13/h6,9,11,25H,2-5,7-8H2,1H3,(H2,17,23)(H,18,19,20).
What are the key properties of 6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide?
6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 175850420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).