2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide

C19H22ClN3O2 — CID 118779828

IUPAC2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(C(NC(=O)c2cc(Cl)ccc2OCCN)C2CC2)n1
InChIInChI=1S/C19H22ClN3O2/c1-12-3-2-4-16(22-12)18(13-5-6-13)23-19(24)15-11-14(20)7-8-17(15)25-10-9-21/h2-4,7-8,11,13,18H,5-6,9-10,21H2,1H3,(H,23,24)
InChIKeyDXHQSEGKRNEROI-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.26
Rot. Bonds7

About 2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide

2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 118779828) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID118779828
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(C(NC(=O)c2cc(Cl)ccc2OCCN)C2CC2)n1
InChIInChI=1S/C19H22ClN3O2/c1-12-3-2-4-16(22-12)18(13-5-6-13)23-19(24)15-11-14(20)7-8-17(15)25-10-9-21/h2-4,7-8,11,13,18H,5-6,9-10,21H2,1H3,(H,23,24)
InChIKeyDXHQSEGKRNEROI-UHFFFAOYSA-N
XLogP3.26
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 125164990
2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 118779895
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 70738649
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 97127947
5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 74231777
3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide
CID 118787329
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 118778490
2-butoxy-5-chlorobenzohydrazide
CID 54795706
N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide
CID 98135938
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119062587
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide
CID 126423675
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 77080300

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide (CID 118779828) is 2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide is Cc1cccc(C(NC(=O)c2cc(Cl)ccc2OCCN)C2CC2)n1.
What is the InChIKey of 2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is DXHQSEGKRNEROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-12-3-2-4-16(22-12)18(13-5-6-13)23-19(24)15-11-14(20)7-8-17(15)25-10-9-21/h2-4,7-8,11,13,18H,5-6,9-10,21H2,1H3,(H,23,24).
What are the key properties of 2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide?
2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 359.86 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 118779828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).