N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide

C14H23N5O2 — CID 61177324

IUPACN'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(N2CCN(CCO)CC2)n1
InChIInChI=1S/C14H23N5O2/c1-10-9-11(2)16-14(12(10)13(15)17-21)19-5-3-18(4-6-19)7-8-20/h9,20-21H,3-8H2,1-2H3,(H2,15,17)
InChIKeySMHVNTBRCCKWLZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.09
Rot. Bonds4

About N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61177324) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61177324
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(N2CCN(CCO)CC2)n1
InChIInChI=1S/C14H23N5O2/c1-10-9-11(2)16-14(12(10)13(15)17-21)19-5-3-18(4-6-19)7-8-20/h9,20-21H,3-8H2,1-2H3,(H2,15,17)
InChIKeySMHVNTBRCCKWLZ-UHFFFAOYSA-N
XLogP-0.09
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

4,6-Dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile
CID 2013066
4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
CID 698057
(2R)-3-methyl-2-[(6-piperidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312518
2,4-Dimethyl-6-(morpholin-4-yl)pyridin-3-amine
CID 66862754
6-((2-Hydroxyethyl)amino)-4-methyl-2-(4-methylpiperazin-1-yl)nicotinonitrile
CID 53368791
2-((2-Hydroxyethyl)(methyl)amino)-4-methyl-6-morpholinonicotinonitrile
CID 53370332
2-(Bis(2-hydroxyethyl)amino)-4-methyl-6-(piperidin-1-yl)nicotinonitrile
CID 53371194
[(3R*,4R*)-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 70759852
1-(2-Amino-6-methyl-4-pyrimidinyl)-4-benzyl-1,4-diazepan-6-ol
CID 72864054
[(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529262
[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-morpholin-4-ylmethanone
CID 97391284
1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97391285

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide (CID 61177324) is N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide is Cc1cc(C)c(C(N)=NO)c(N2CCN(CCO)CC2)n1.
What is the InChIKey of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is SMHVNTBRCCKWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10-9-11(2)16-14(12(10)13(15)17-21)19-5-3-18(4-6-19)7-8-20/h9,20-21H,3-8H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 293.37 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61177324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).