2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide

C14H22N4O — CID 102862991

IUPAC2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1N(CCCO)C1CCC1
InChIInChI=1S/C14H22N4O/c1-10-6-7-12(13(15)16)14(17-10)18(8-3-9-19)11-4-2-5-11/h6-7,11,19H,2-5,8-9H2,1H3,(H3,15,16)
InChIKeyVNJBHBMZFIMVEA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.42
Rot. Bonds6

About 2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide

2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide (PubChem CID 102862991) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide
PubChem CID102862991
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1N(CCCO)C1CCC1
InChIInChI=1S/C14H22N4O/c1-10-6-7-12(13(15)16)14(17-10)18(8-3-9-19)11-4-2-5-11/h6-7,11,19H,2-5,8-9H2,1H3,(H3,15,16)
InChIKeyVNJBHBMZFIMVEA-UHFFFAOYSA-N
XLogP1.42
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.42
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

N-((2-amino-6-methylpyridin-3-yl)methyl)-N-(5-hydroxy-3-(2-(2-hydroxyethyl)disulfanyl)pent-2-en-2-yl)formamide
CID 44446002
[(2S)-1,9-dimethyl-5-(3-methylbutyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529256
(2R)-3-methyl-2-[(6-piperidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312518
(2R)-3-methyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312570
(6-Methyl-2-(pyrrolidin-1-yl)pyridin-3-yl)methanamine
CID 45792660
3-[[(3R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol
CID 52948360
3-[[6-(Trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 72003580
[(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529262
[(2S)-5-(cyclohexylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529249
[(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529272
[(2S)-1,9-dimethyl-5-(2-methylpropyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 100654508
[(2S)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529274

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide (CID 102862991) is 2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C)nc1N(CCCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide?
The InChIKey is VNJBHBMZFIMVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-6-7-12(13(15)16)14(17-10)18(8-3-9-19)11-4-2-5-11/h6-7,11,19H,2-5,8-9H2,1H3,(H3,15,16).
What are the key properties of 2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide?
2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 102862991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).