6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide

C18H20ClN3O2 — CID 95157187

IUPAC6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide
SMILESC[C@H](c1ccc(NC(=O)c2ccc(Cl)nc2)cc1)N1CCOCC1
InChIInChI=1S/C18H20ClN3O2/c1-13(22-8-10-24-11-9-22)14-2-5-16(6-3-14)21-18(23)15-4-7-17(19)20-12-15/h2-7,12-13H,8-11H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyVBYMLSBQHPDRNZ-CYBMUJFWSA-N
MW345.83 g/mol
LogP3.38
Rot. Bonds4

About 6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide

6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide (PubChem CID 95157187) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide
PubChem CID95157187
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide
SMILESC[C@H](c1ccc(NC(=O)c2ccc(Cl)nc2)cc1)N1CCOCC1
InChIInChI=1S/C18H20ClN3O2/c1-13(22-8-10-24-11-9-22)14-2-5-16(6-3-14)21-18(23)15-4-7-17(19)20-12-15/h2-7,12-13H,8-11H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyVBYMLSBQHPDRNZ-CYBMUJFWSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide
CID 87629972
N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide
CID 4555488
6-chloro-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 134027027
(2R)-2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878404
3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide
CID 95152103
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
5-cyclopropyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1H-pyrazole-3-carboxamide
CID 95621160
2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878378
6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
CID 103769200
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
N-[4-(1-morpholin-4-ylethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 75463337
1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea
CID 99835806

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide (CID 95157187) is 6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide is C[C@H](c1ccc(NC(=O)c2ccc(Cl)nc2)cc1)N1CCOCC1.
What is the InChIKey of 6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide?
The InChIKey is VBYMLSBQHPDRNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13(22-8-10-24-11-9-22)14-2-5-16(6-3-14)21-18(23)15-4-7-17(19)20-12-15/h2-7,12-13H,8-11H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 95157187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).