N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide

C12H16N2O2 — CID 111539461

IUPACN-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC2(O)CCC2)c1
InChIInChI=1S/C12H16N2O2/c1-9-5-10(7-13-6-9)11(15)14-8-12(16)3-2-4-12/h5-7,16H,2-4,8H2,1H3,(H,14,15)
InChIKeyMSTKGMVRIDNLOQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.03
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide (PubChem CID 111539461) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide
PubChem CID111539461
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC2(O)CCC2)c1
InChIInChI=1S/C12H16N2O2/c1-9-5-10(7-13-6-9)11(15)14-8-12(16)3-2-4-12/h5-7,16H,2-4,8H2,1H3,(H,14,15)
InChIKeyMSTKGMVRIDNLOQ-UHFFFAOYSA-N
XLogP1.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxythiolan-3-yl)methyl]-5-methylpyridine-3-carboxamide
CID 111596832
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide
CID 113294750
N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide
CID 103970220
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 104786143
N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide
CID 95722997
N-[2,2-dimethyl-3-[(5-methylpyridine-3-carbonyl)amino]propyl]-5-methylpyridine-3-carboxamide
CID 71994778
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 111696598
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481
6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide
CID 111445550
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide (CID 111539461) is N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NCC2(O)CCC2)c1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide?
The InChIKey is MSTKGMVRIDNLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-5-10(7-13-6-9)11(15)14-8-12(16)3-2-4-12/h5-7,16H,2-4,8H2,1H3,(H,14,15).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 111539461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).