N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide

C19H22ClN3O2 — CID 60597091

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(c2ccc(Cl)cc2)N2CCOCC2)cn1
InChIInChI=1S/C19H22ClN3O2/c1-14-2-3-16(12-21-14)19(24)22-13-18(23-8-10-25-11-9-23)15-4-6-17(20)7-5-15/h2-7,12,18H,8-11,13H2,1H3,(H,22,24)
InChIKeyBFXTYEOGVHBEPG-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide (PubChem CID 60597091) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide
PubChem CID60597091
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(c2ccc(Cl)cc2)N2CCOCC2)cn1
InChIInChI=1S/C19H22ClN3O2/c1-14-2-3-16(12-21-14)19(24)22-13-18(23-8-10-25-11-9-23)15-4-6-17(20)7-5-15/h2-7,12,18H,8-11,13H2,1H3,(H,22,24)
InChIKeyBFXTYEOGVHBEPG-UHFFFAOYSA-N
XLogP2.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide (CID 60597091) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC(c2ccc(Cl)cc2)N2CCOCC2)cn1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is BFXTYEOGVHBEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-14-2-3-16(12-21-14)19(24)22-13-18(23-8-10-25-11-9-23)15-4-6-17(20)7-5-15/h2-7,12,18H,8-11,13H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 60597091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).