N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride

C17H20Cl3N3O3 — CID 119867098

IUPACN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)C1CNCCO1
InChIInChI=1S/C17H18ClN3O3.2ClH/c18-14-9-12(21-17(22)16-10-19-7-8-23-16)4-5-15(14)24-11-13-3-1-2-6-20-13;;/h1-6,9,16,19H,7-8,10-11H2,(H,21,22);2*1H
InChIKeyCETFFHGAPMBBPH-UHFFFAOYSA-N
MW420.72 g/mol
LogP3.08
Rot. Bonds5

About N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119867098) has the molecular formula C17H20Cl3N3O3 and a molecular weight of 420.72 g/mol. Its IUPAC name is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119867098
Molecular FormulaC17H20Cl3N3O3
Molecular Weight420.72 g/mol
Exact Mass419.06
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)C1CNCCO1
InChIInChI=1S/C17H18ClN3O3.2ClH/c18-14-9-12(21-17(22)16-10-19-7-8-23-16)4-5-15(14)24-11-13-3-1-2-6-20-13;;/h1-6,9,16,19H,7-8,10-11H2,(H,21,22);2*1H
InChIKeyCETFFHGAPMBBPH-UHFFFAOYSA-N
XLogP3.08
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.72
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119846119
(2S)-N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]oxirane-2-carboxamide
CID 42602304
N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]oxirane-2-carboxamide
CID 74816875
(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120634640
N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119772470
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide
CID 11554402
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119723387
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119867082
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 154911195
N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119742216

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride (CID 119867098) is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)C1CNCCO1.
What is the InChIKey of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is CETFFHGAPMBBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3.2ClH/c18-14-9-12(21-17(22)16-10-19-7-8-23-16)4-5-15(14)24-11-13-3-1-2-6-20-13;;/h1-6,9,16,19H,7-8,10-11H2,(H,21,22);2*1H.
What are the key properties of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride?
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 420.72 g/mol, XLogP of 3.08, 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-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119867098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).