N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide

C13H15N3O2 — CID 154752802

IUPACN-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)N(C)C2(C#N)CCC2)c(O)c1
InChIInChI=1S/C13H15N3O2/c1-9-6-10(17)11(15-7-9)12(18)16(2)13(8-14)4-3-5-13/h6-7,17H,3-5H2,1-2H3
InChIKeyDDSLSVARTHDQTN-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.61
Rot. Bonds2

About N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide

N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide (PubChem CID 154752802) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide
PubChem CID154752802
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)N(C)C2(C#N)CCC2)c(O)c1
InChIInChI=1S/C13H15N3O2/c1-9-6-10(17)11(15-7-9)12(18)16(2)13(8-14)4-3-5-13/h6-7,17H,3-5H2,1-2H3
InChIKeyDDSLSVARTHDQTN-UHFFFAOYSA-N
XLogP1.61
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Hydroxypyridin-2-yl)formamido]acetic acid
CID 9837038
3-Hydroxypicolinamide
CID 70277
US10889546, Example 5
CID 129027154
US10889546, Example 4
CID 129027310
2-[(5-Ethynyl-3-hydroxypyridine-2-carbonyl)amino]acetic acid
CID 141740991
6-Azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone
CID 127464455
6-Azaspiro[3.4]octan-6-yl-(5-chloro-3-hydroxy-2-pyridinyl)methanone
CID 155532306
6-Azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone
CID 155543870
2-[[3-hydroxy-5-[3-(N-methylanilino)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
CID 162656482
N-[(4-fluorophenyl)methyl]-3-hydroxy-pyridine-2-carboxamide
CID 5274890
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 59513093
N-[(4-aminophenyl)methyl]-3-hydroxy-pyridine-2-carboxamide
CID 74539854

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide?
The IUPAC name of N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide (CID 154752802) is N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide is Cc1cnc(C(=O)N(C)C2(C#N)CCC2)c(O)c1.
What is the InChIKey of N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide?
The InChIKey is DDSLSVARTHDQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-6-10(17)11(15-7-9)12(18)16(2)13(8-14)4-3-5-13/h6-7,17H,3-5H2,1-2H3.
What are the key properties of N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide?
N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 154752802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).