2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol

C17H24N4O — CID 11370051

IUPAC2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol
SMILESCc1cccnc1CN(CCCCN)Cc1ncccc1O
InChIInChI=1S/C17H24N4O/c1-14-6-4-9-19-15(14)12-21(11-3-2-8-18)13-16-17(22)7-5-10-20-16/h4-7,9-10,22H,2-3,8,11-13,18H2,1H3
InChIKeyPHCUSJKMQLRORG-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.23
Rot. Bonds8

About 2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol

2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol (PubChem CID 11370051) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol
PubChem CID11370051
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol
SMILESCc1cccnc1CN(CCCCN)Cc1ncccc1O
InChIInChI=1S/C17H24N4O/c1-14-6-4-9-19-15(14)12-21(11-3-2-8-18)13-16-17(22)7-5-10-20-16/h4-7,9-10,22H,2-3,8,11-13,18H2,1H3
InChIKeyPHCUSJKMQLRORG-UHFFFAOYSA-N
XLogP2.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(3-fluoro-2-pyridinyl)methyl]-N'-[(3-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 11347188
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-prop-2-enoxy-2-pyridinyl)methyl]butane-1,4-diamine
CID 11267821
N'-(isoquinolin-3-ylmethyl)-N'-[(3-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 11256122
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(3-phenylmethoxy-2-pyridinyl)methyl]butane-1,4-diamine
CID 11474784
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(1-phenylimidazol-2-yl)methyl]butane-1,4-diamine
CID 11198881
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(2-phenyl-1H-imidazol-5-yl)methyl]butane-1,4-diamine
CID 11187185
N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 112649922
N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 112649923
bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid
CID 173404341
N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-[(3-morpholin-4-yl-2-pyridinyl)methyl]butane-1,4-diamine
CID 25177707
4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 115982035
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322

Frequently Asked Questions

What is the IUPAC name of 2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol?
The IUPAC name of 2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol (CID 11370051) is 2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol is Cc1cccnc1CN(CCCCN)Cc1ncccc1O.
What is the InChIKey of 2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol?
The InChIKey is PHCUSJKMQLRORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14-6-4-9-19-15(14)12-21(11-3-2-8-18)13-16-17(22)7-5-10-20-16/h4-7,9-10,22H,2-3,8,11-13,18H2,1H3.
What are the key properties of 2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol?
2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol has a molecular weight of 300.41 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 11370051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).