N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide

C14H21N3O3 — CID 114751386

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NCC2(CCO)CC2)c1C
InChIInChI=1S/C14H21N3O3/c1-9-10(2)16-17(3)13(20)11(9)12(19)15-8-14(4-5-14)6-7-18/h18H,4-8H2,1-3H3,(H,15,19)
InChIKeyGWDCCKLREFJUGI-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.29
Rot. Bonds5

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (PubChem CID 114751386) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
PubChem CID114751386
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NCC2(CCO)CC2)c1C
InChIInChI=1S/C14H21N3O3/c1-9-10(2)16-17(3)13(20)11(9)12(19)15-8-14(4-5-14)6-7-18/h18H,4-8H2,1-3H3,(H,15,19)
InChIKeyGWDCCKLREFJUGI-UHFFFAOYSA-N
XLogP0.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 114757924
N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 66169014
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 114759400
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,4,6-trimethylbenzamide
CID 114751380
N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 103874312
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 54990991
2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 43355324
2-[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526397
2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide
CID 103874335
N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide
CID 54879576
(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 80749718

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (CID 114751386) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)NCC2(CCO)CC2)c1C.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The InChIKey is GWDCCKLREFJUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-10(2)16-17(3)13(20)11(9)12(19)15-8-14(4-5-14)6-7-18/h18H,4-8H2,1-3H3,(H,15,19).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 114751386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).