(2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide

C18H18ClN5O2 — CID 95226722

IUPAC(2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)[C@H](C)n2cc(Cl)cn2)cn1
InChIInChI=1S/C18H18ClN5O2/c1-12-5-6-16(10-21-12)26-18-14(4-3-7-20-18)8-22-17(25)13(2)24-11-15(19)9-23-24/h3-7,9-11,13H,8H2,1-2H3,(H,22,25)/t13-/m0/s1
InChIKeyDXLUMHRPRXXSRO-ZDUSSCGKSA-N
MW371.83 g/mol
LogP3.30
Rot. Bonds6

About (2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide

(2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide (PubChem CID 95226722) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is (2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide
PubChem CID95226722
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name(2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)[C@H](C)n2cc(Cl)cn2)cn1
InChIInChI=1S/C18H18ClN5O2/c1-12-5-6-16(10-21-12)26-18-14(4-3-7-20-18)8-22-17(25)13(2)24-11-15(19)9-23-24/h3-7,9-11,13H,8H2,1-2H3,(H,22,25)/t13-/m0/s1
InChIKeyDXLUMHRPRXXSRO-ZDUSSCGKSA-N
XLogP3.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-2-hydroxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide
CID 56748690
2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 42521293
3-chloro-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridin-2-amine
CID 56739901
2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
CID 56755106
6-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 25288779
(2S)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 26413168
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039
2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62287354
N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42396037
N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 56742651
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide
CID 45171969
(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37247400

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide?
The IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide (CID 95226722) is (2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide?
The canonical SMILES for (2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide is Cc1ccc(Oc2ncccc2CNC(=O)[C@H](C)n2cc(Cl)cn2)cn1.
What is the InChIKey of (2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide?
The InChIKey is DXLUMHRPRXXSRO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-12-5-6-16(10-21-12)26-18-14(4-3-7-20-18)8-22-17(25)13(2)24-11-15(19)9-23-24/h3-7,9-11,13H,8H2,1-2H3,(H,22,25)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide?
(2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide has a molecular weight of 371.83 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 95226722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).