N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide

C17H20ClN3O2 — CID 122158661

IUPACN-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)NCC(CO)Cc1ccncc1Cl
InChIInChI=1S/C17H20ClN3O2/c18-16-11-19-8-6-14(16)9-13(12-22)10-21-17(23)5-4-15-3-1-2-7-20-15/h1-3,6-8,11,13,22H,4-5,9-10,12H2,(H,21,23)
InChIKeyITGBUNOEQBEHST-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.03
Rot. Bonds8

About N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide

N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide (PubChem CID 122158661) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide
PubChem CID122158661
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)NCC(CO)Cc1ccncc1Cl
InChIInChI=1S/C17H20ClN3O2/c18-16-11-19-8-6-14(16)9-13(12-22)10-21-17(23)5-4-15-3-1-2-7-20-15/h1-3,6-8,11,13,22H,4-5,9-10,12H2,(H,21,23)
InChIKeyITGBUNOEQBEHST-UHFFFAOYSA-N
XLogP2.03
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784605
tert-butyl N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]carbamate
CID 106508919
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784455
N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide
CID 96517114
5-chloro-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]pyridine-2-carboxamide
CID 71977436
N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
CID 120832475
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
CID 111784865
3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 114289566
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
CID 71862079

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide (CID 122158661) is N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide is O=C(CCc1ccccn1)NCC(CO)Cc1ccncc1Cl.
What is the InChIKey of N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide?
The InChIKey is ITGBUNOEQBEHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-16-11-19-8-6-14(16)9-13(12-22)10-21-17(23)5-4-15-3-1-2-7-20-15/h1-3,6-8,11,13,22H,4-5,9-10,12H2,(H,21,23).
What are the key properties of N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide?
N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide has a molecular weight of 333.82 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 122158661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).