2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide

C21H21Cl2N5O2 — CID 75373916

IUPAC2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(NCc1ccnc(-n2cccn2)c1)C(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C21H21Cl2N5O2/c22-16-2-3-17(18(23)13-16)20(27-8-10-30-11-9-27)21(29)25-14-15-4-6-24-19(12-15)28-7-1-5-26-28/h1-7,12-13,20H,8-11,14H2,(H,25,29)
InChIKeyCOGVRLVNWQKDQQ-UHFFFAOYSA-N
MW446.34 g/mol
LogP3.26
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide

2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide (PubChem CID 75373916) has the molecular formula C21H21Cl2N5O2 and a molecular weight of 446.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
PubChem CID75373916
Molecular FormulaC21H21Cl2N5O2
Molecular Weight446.34 g/mol
Exact Mass445.11
IUPAC Name2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(NCc1ccnc(-n2cccn2)c1)C(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C21H21Cl2N5O2/c22-16-2-3-17(18(23)13-16)20(27-8-10-30-11-9-27)21(29)25-14-15-4-6-24-19(12-15)28-7-1-5-26-28/h1-7,12-13,20H,8-11,14H2,(H,25,29)
InChIKeyCOGVRLVNWQKDQQ-UHFFFAOYSA-N
XLogP3.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide (CID 75373916) is 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide is O=C(NCc1ccnc(-n2cccn2)c1)C(c1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is COGVRLVNWQKDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2/c22-16-2-3-17(18(23)13-16)20(27-8-10-30-11-9-27)21(29)25-14-15-4-6-24-19(12-15)28-7-1-5-26-28/h1-7,12-13,20H,8-11,14H2,(H,25,29).
What are the key properties of 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide?
2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 446.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 75373916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).