N-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide

C13H20N4O3 — CID 67862274

IUPACN-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(NN1CCN(CC(O)CO)CC1)c1cccnc1
InChIInChI=1S/C13H20N4O3/c18-10-12(19)9-16-4-6-17(7-5-16)15-13(20)11-2-1-3-14-8-11/h1-3,8,12,18-19H,4-7,9-10H2,(H,15,20)
InChIKeyICHFDFYIRRCWSV-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.30
Rot. Bonds5

About N-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide

N-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 67862274) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID67862274
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(NN1CCN(CC(O)CO)CC1)c1cccnc1
InChIInChI=1S/C13H20N4O3/c18-10-12(19)9-16-4-6-17(7-5-16)15-13(20)11-2-1-3-14-8-11/h1-3,8,12,18-19H,4-7,9-10H2,(H,15,20)
InChIKeyICHFDFYIRRCWSV-UHFFFAOYSA-N
XLogP-1.30
TPSA88.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;ethane
CID 162114767
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;ethane
CID 162114766
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxybutyl]pyridine-3-carboxamide
CID 131971608
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
propane-1,2-diol;pyridine-3-carboxylic acid
CID 159503029
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
hexane-1,2,3,4,5,6-hexol;pyridine-3-carboxylic acid
CID 174699065
N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide
CID 76956160
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
N-(2,4-dioxo-1,3-diazinan-1-yl)pyridine-3-carboxamide
CID 6502102

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide (CID 67862274) is N-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide is O=C(NN1CCN(CC(O)CO)CC1)c1cccnc1.
What is the InChIKey of N-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is ICHFDFYIRRCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c18-10-12(19)9-16-4-6-17(7-5-16)15-13(20)11-2-1-3-14-8-11/h1-3,8,12,18-19H,4-7,9-10H2,(H,15,20).
What are the key properties of N-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide?
N-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67862274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).