(1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol

C14H20N4O — CID 103938734

IUPAC(1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(C)Cc2nccn2C)cn1
InChIInChI=1S/C14H20N4O/c1-4-13(19)12-6-5-11(9-16-12)18(3)10-14-15-7-8-17(14)2/h5-9,13,19H,4,10H2,1-3H3/t13-/m0/s1
InChIKeyBTVFICIQVZHDBY-ZDUSSCGKSA-N
MW260.34 g/mol
LogP1.89
Rot. Bonds5

About (1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol

(1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol (PubChem CID 103938734) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol
PubChem CID103938734
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(C)Cc2nccn2C)cn1
InChIInChI=1S/C14H20N4O/c1-4-13(19)12-6-5-11(9-16-12)18(3)10-14-15-7-8-17(14)2/h5-9,13,19H,4,10H2,1-3H3/t13-/m0/s1
InChIKeyBTVFICIQVZHDBY-ZDUSSCGKSA-N
XLogP1.89
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-3-amine
CID 83127053
5-N-methyl-5-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 63013748
(1R)-1-[5-[methyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938385
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 115940380
(1R)-1-[5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938756
(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938300
1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940397
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935414
1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 115940386
4-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63013979
3-[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]propanenitrile
CID 112585242

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol (CID 103938734) is (1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(N(C)Cc2nccn2C)cn1.
What is the InChIKey of (1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol?
The InChIKey is BTVFICIQVZHDBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-13(19)12-6-5-11(9-16-12)18(3)10-14-15-7-8-17(14)2/h5-9,13,19H,4,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol?
(1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).