3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide

C13H19ClN4O — CID 107060400

IUPAC3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCCO)C2CCC2)c1Cl
InChIInChI=1S/C13H19ClN4O/c14-11-10(12(15)16)5-6-17-13(11)18(7-2-8-19)9-3-1-4-9/h5-6,9,19H,1-4,7-8H2,(H3,15,16)
InChIKeyZQPQKGPZCXVELX-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.76
Rot. Bonds6

About 3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide

3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide (PubChem CID 107060400) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide
PubChem CID107060400
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCCO)C2CCC2)c1Cl
InChIInChI=1S/C13H19ClN4O/c14-11-10(12(15)16)5-6-17-13(11)18(7-2-8-19)9-3-1-4-9/h5-6,9,19H,1-4,7-8H2,(H3,15,16)
InChIKeyZQPQKGPZCXVELX-UHFFFAOYSA-N
XLogP1.76
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide
CID 102862992
3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide
CID 107060380
3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 107055806
2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide
CID 102862991
3-[cyclopentyl(2-hydroxyethyl)amino]pyridazine-4-carboximidamide
CID 80513497
3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide
CID 55104553
3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide
CID 102740205
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
CID 107060364
2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid
CID 102863145
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclopropylamino]ethanol
CID 107055331
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone
CID 114055612

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide (CID 107060400) is 3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(CCCO)C2CCC2)c1Cl.
What is the InChIKey of 3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide?
The InChIKey is ZQPQKGPZCXVELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-11-10(12(15)16)5-6-17-13(11)18(7-2-8-19)9-3-1-4-9/h5-6,9,19H,1-4,7-8H2,(H3,15,16).
What are the key properties of 3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide?
3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide has a molecular weight of 282.77 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 107060400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).