N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide

C15H20ClN3O2 — CID 70652606

IUPACN-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide
SMILESCC(=O)NC[C@@H](O)Cc1cnc(C2=CCNCC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-10(20)18-9-13(21)6-11-7-14(16)15(19-8-11)12-2-4-17-5-3-12/h2,7-8,13,17,21H,3-6,9H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyBKBUGWXIDHVJPL-ZDUSSCGKSA-N
MW309.80 g/mol
LogP1.15
Rot. Bonds5

About N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide

N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide (PubChem CID 70652606) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide
PubChem CID70652606
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide
SMILESCC(=O)NC[C@@H](O)Cc1cnc(C2=CCNCC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-10(20)18-9-13(21)6-11-7-14(16)15(19-8-11)12-2-4-17-5-3-12/h2,7-8,13,17,21H,3-6,9H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyBKBUGWXIDHVJPL-ZDUSSCGKSA-N
XLogP1.15
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide?
The IUPAC name of N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide (CID 70652606) is N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide.
What is the SMILES notation for N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide?
The canonical SMILES for N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide is CC(=O)NC[C@@H](O)Cc1cnc(C2=CCNCC2)c(Cl)c1.
What is the InChIKey of N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide?
The InChIKey is BKBUGWXIDHVJPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10(20)18-9-13(21)6-11-7-14(16)15(19-8-11)12-2-4-17-5-3-12/h2,7-8,13,17,21H,3-6,9H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide?
N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide has a molecular weight of 309.80 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide is sourced from PubChem (CID 70652606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).