N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride

C18H21Cl2N3O3 — CID 71086852

IUPACN-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(C(=O)Nc2ccc(C3CNCCO3)c(Cl)c2)cn1.Cl
InChIInChI=1S/C18H20ClN3O3.ClH/c1-2-24-17-6-3-12(10-21-17)18(23)22-13-4-5-14(15(19)9-13)16-11-20-7-8-25-16;/h3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23);1H
InChIKeyJDVXFQPNVNBOQL-UHFFFAOYSA-N
MW398.29 g/mol
LogP3.47
Rot. Bonds5

About N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride

N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride (PubChem CID 71086852) has the molecular formula C18H21Cl2N3O3 and a molecular weight of 398.29 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride
PubChem CID71086852
Molecular FormulaC18H21Cl2N3O3
Molecular Weight398.29 g/mol
Exact Mass397.10
IUPAC NameN-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(C(=O)Nc2ccc(C3CNCCO3)c(Cl)c2)cn1.Cl
InChIInChI=1S/C18H20ClN3O3.ClH/c1-2-24-17-6-3-12(10-21-17)18(23)22-13-4-5-14(15(19)9-13)16-11-20-7-8-25-16;/h3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23);1H
InChIKeyJDVXFQPNVNBOQL-UHFFFAOYSA-N
XLogP3.47
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide
CID 71086784
5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
CID 90133875
N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide
CID 71086740
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
N-(3-chloro-4-morpholin-2-ylphenyl)-1-(4-cyanophenyl)pyrazole-4-carboxamide
CID 71086948
5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
CID 122529822
2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride
CID 71087142
6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 87015454
6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71498835
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
4-methyl-N-(6-morpholin-2-yl-3-pyridinyl)benzamide
CID 123703173
4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide
CID 144953548

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride (CID 71086852) is N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride is CCOc1ccc(C(=O)Nc2ccc(C3CNCCO3)c(Cl)c2)cn1.Cl.
What is the InChIKey of N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride?
The InChIKey is JDVXFQPNVNBOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3.ClH/c1-2-24-17-6-3-12(10-21-17)18(23)22-13-4-5-14(15(19)9-13)16-11-20-7-8-25-16;/h3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23);1H.
What are the key properties of N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride?
N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride has a molecular weight of 398.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 71086852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).