N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide

C18H20ClN3O3 — CID 71086970

IUPACN-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)cn1
InChIInChI=1S/C18H20ClN3O3/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)/t16-/m1/s1
InChIKeyXLBDMSGNJYNJRN-MRXNPFEDSA-N
MW361.83 g/mol
LogP3.05
Rot. Bonds5

About N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide

N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide (PubChem CID 71086970) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide
PubChem CID71086970
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)cn1
InChIInChI=1S/C18H20ClN3O3/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)/t16-/m1/s1
InChIKeyXLBDMSGNJYNJRN-MRXNPFEDSA-N
XLogP3.05
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide (CID 71086970) is N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)cn1.
What is the InChIKey of N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide?
The InChIKey is XLBDMSGNJYNJRN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20ClN3O3/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)/t16-/m1/s1.
What are the key properties of N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide?
N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 3.05, 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-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 71086970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).