N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide

C14H20ClN3O2 — CID 110019983

IUPACN-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
SMILESCC(O)C1CCN(C(C)C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C14H20ClN3O2/c1-9(18-6-5-11(8-18)10(2)19)14(20)17-13-4-3-12(15)7-16-13/h3-4,7,9-11,19H,5-6,8H2,1-2H3,(H,16,17,20)
InChIKeyLHHQIFFNMZNCJN-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.76
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide

N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide (PubChem CID 110019983) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
PubChem CID110019983
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
SMILESCC(O)C1CCN(C(C)C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C14H20ClN3O2/c1-9(18-6-5-11(8-18)10(2)19)14(20)17-13-4-3-12(15)7-16-13/h3-4,7,9-11,19H,5-6,8H2,1-2H3,(H,16,17,20)
InChIKeyLHHQIFFNMZNCJN-UHFFFAOYSA-N
XLogP1.76
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
CID 164584586
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]propanamide
CID 98762896
(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide
CID 164584521
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride
CID 120775078
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide
CID 164584610
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S)-3-(1-oxidopyridin-1-ium-4-yl)piperidin-1-yl]propanamide
CID 164734825
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 25340743
(2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 94799522
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760283
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31872788
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 25397777

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide (CID 110019983) is N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide is CC(O)C1CCN(C(C)C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is LHHQIFFNMZNCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(18-6-5-11(8-18)10(2)19)14(20)17-13-4-3-12(15)7-16-13/h3-4,7,9-11,19H,5-6,8H2,1-2H3,(H,16,17,20).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide?
N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 297.79 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 110019983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).