2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide

C18H24ClN5O2 — CID 126428078

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide
SMILESCc1nn(CC(=O)NC[C@H](c2cccnc2)N2CCOCC2)c(C)c1Cl
InChIInChI=1S/C18H24ClN5O2/c1-13-18(19)14(2)24(22-13)12-17(25)21-11-16(15-4-3-5-20-10-15)23-6-8-26-9-7-23/h3-5,10,16H,6-9,11-12H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyYGYJBJUTUOTILP-MRXNPFEDSA-N
MW377.88 g/mol
LogP1.74
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide (PubChem CID 126428078) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide
PubChem CID126428078
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide
SMILESCc1nn(CC(=O)NC[C@H](c2cccnc2)N2CCOCC2)c(C)c1Cl
InChIInChI=1S/C18H24ClN5O2/c1-13-18(19)14(2)24(22-13)12-17(25)21-11-16(15-4-3-5-20-10-15)23-6-8-26-9-7-23/h3-5,10,16H,6-9,11-12H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyYGYJBJUTUOTILP-MRXNPFEDSA-N
XLogP1.74
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
CID 110304051
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide
CID 99950839
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
CID 110304070
2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
CID 45233738
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
CID 46975397
2-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide
CID 28668134
2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
CID 90652629
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 30852484
2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide
CID 99977577

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide (CID 126428078) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide is Cc1nn(CC(=O)NC[C@H](c2cccnc2)N2CCOCC2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide?
The InChIKey is YGYJBJUTUOTILP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-13-18(19)14(2)24(22-13)12-17(25)21-11-16(15-4-3-5-20-10-15)23-6-8-26-9-7-23/h3-5,10,16H,6-9,11-12H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide has a molecular weight of 377.88 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 126428078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).