[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol

C14H16ClN3O — CID 114920252

IUPAC[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol
SMILESCN(CCc1ccncc1)c1cc(CO)c(Cl)cn1
InChIInChI=1S/C14H16ClN3O/c1-18(7-4-11-2-5-16-6-3-11)14-8-12(10-19)13(15)9-17-14/h2-3,5-6,8-9,19H,4,7,10H2,1H3
InChIKeyCYMAWFSEMHBFNX-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.30
Rot. Bonds5

About [5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol

[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol (PubChem CID 114920252) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is [5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol
PubChem CID114920252
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol
SMILESCN(CCc1ccncc1)c1cc(CO)c(Cl)cn1
InChIInChI=1S/C14H16ClN3O/c1-18(7-4-11-2-5-16-6-3-11)14-8-12(10-19)13(15)9-17-14/h2-3,5-6,8-9,19H,4,7,10H2,1H3
InChIKeyCYMAWFSEMHBFNX-UHFFFAOYSA-N
XLogP2.30
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 107373359
[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 114920211
[2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol
CID 62134201
[5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol
CID 114920412
[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920404
[5-chloro-2-(diethylamino)-4-pyridinyl]methanol
CID 114920176
[5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920233
N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285110
5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine
CID 80503008
2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 81151057
N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 62284014
5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 61257415

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol (CID 114920252) is [5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol is CN(CCc1ccncc1)c1cc(CO)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol?
The InChIKey is CYMAWFSEMHBFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18(7-4-11-2-5-16-6-3-11)14-8-12(10-19)13(15)9-17-14/h2-3,5-6,8-9,19H,4,7,10H2,1H3.
What are the key properties of [5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol?
[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol has a molecular weight of 277.75 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 114920252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).