N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide

C12H16N2O2 — CID 168957468

IUPACN-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)NC2(CO)CC2)nc1C
InChIInChI=1S/C12H16N2O2/c1-8-3-4-10(13-9(8)2)11(16)14-12(7-15)5-6-12/h3-4,15H,5-7H2,1-2H3,(H,14,16)
InChIKeyHDUXYTXTRJYSBN-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.95
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide

N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide (PubChem CID 168957468) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
PubChem CID168957468
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)NC2(CO)CC2)nc1C
InChIInChI=1S/C12H16N2O2/c1-8-3-4-10(13-9(8)2)11(16)14-12(7-15)5-6-12/h3-4,15H,5-7H2,1-2H3,(H,14,16)
InChIKeyHDUXYTXTRJYSBN-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
CID 168957527
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
N,5,6-trimethylpyridine-2-carboxamide
CID 131113985
5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
CID 168957386
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
CID 103881085
N-[1-(hydroxymethyl)cyclopropyl]-3-methylpyridine-2-carboxamide
CID 115877759
N-[1-(hydroxymethyl)cyclopropyl]-3-methylfuran-2-carboxamide
CID 115764587
6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide
CID 103881191
6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide
CID 62551682
2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide
CID 106994379
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide (CID 168957468) is N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide is Cc1ccc(C(=O)NC2(CO)CC2)nc1C.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
The InChIKey is HDUXYTXTRJYSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-3-4-10(13-9(8)2)11(16)14-12(7-15)5-6-12/h3-4,15H,5-7H2,1-2H3,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 168957468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).