5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide

C12H18N4O2 — CID 102859460

IUPAC5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1N(CCO)C1CCC1
InChIInChI=1S/C12H18N4O2/c13-8-6-10(11(14)18)12(15-7-8)16(4-5-17)9-2-1-3-9/h6-7,9,17H,1-5,13H2,(H2,14,18)
InChIKeyCWVBOEATWCBREG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.11
Rot. Bonds5

About 5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide

5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide (PubChem CID 102859460) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide
PubChem CID102859460
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1N(CCO)C1CCC1
InChIInChI=1S/C12H18N4O2/c13-8-6-10(11(14)18)12(15-7-8)16(4-5-17)9-2-1-3-9/h6-7,9,17H,1-5,13H2,(H2,14,18)
InChIKeyCWVBOEATWCBREG-UHFFFAOYSA-N
XLogP0.11
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxamide
CID 102859267
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 114047105
5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile
CID 54993728
2-[(5-aminopyrimidin-2-yl)-cyclobutylamino]ethanol
CID 102859565
5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide
CID 107197717
5-amino-2-(diethylamino)pyridine-3-carboxamide
CID 61359746
5-amino-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 61358399
2-[(5-amino-3-pyridinyl)-cyclohexylamino]ethanol
CID 104533748
2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide
CID 102868412
5-amino-2-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 61358208
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide
CID 115545500
4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 114214262

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide (CID 102859460) is 5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1N(CCO)C1CCC1.
What is the InChIKey of 5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide?
The InChIKey is CWVBOEATWCBREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-8-6-10(11(14)18)12(15-7-8)16(4-5-17)9-2-1-3-9/h6-7,9,17H,1-5,13H2,(H2,14,18).
What are the key properties of 5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide?
5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 102859460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).