2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide

C14H20ClN3O — CID 122134810

IUPAC2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide
SMILESCN(CCN(C)C1CC1)C(=O)Cc1ccncc1Cl
InChIInChI=1S/C14H20ClN3O/c1-17(12-3-4-12)7-8-18(2)14(19)9-11-5-6-16-10-13(11)15/h5-6,10,12H,3-4,7-9H2,1-2H3
InChIKeyQPVMUVUGEAHJDJ-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.83
Rot. Bonds6

About 2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide

2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide (PubChem CID 122134810) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide
PubChem CID122134810
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide
SMILESCN(CCN(C)C1CC1)C(=O)Cc1ccncc1Cl
InChIInChI=1S/C14H20ClN3O/c1-17(12-3-4-12)7-8-18(2)14(19)9-11-5-6-16-10-13(11)15/h5-6,10,12H,3-4,7-9H2,1-2H3
InChIKeyQPVMUVUGEAHJDJ-UHFFFAOYSA-N
XLogP1.83
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 131949946
2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450636
1-(3-chloro-4-pyridinyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047726
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
2-(3-chloro-4-pyridinyl)-1-(thiolan-2-yl)ethanone
CID 80622646
2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone
CID 105107515
1-(3-chloro-4-pyridinyl)-3-propylhexan-2-one
CID 112655389
N,N-dimethyl-2-(3-methyl-4-pyridinyl)acetamide
CID 130131962
3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66484894
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482566
[3-[cyclopropyl(methyl)amino]-4-pyridinyl]methanol
CID 105066695
N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 79841594

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide (CID 122134810) is 2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide is CN(CCN(C)C1CC1)C(=O)Cc1ccncc1Cl.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide?
The InChIKey is QPVMUVUGEAHJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17(12-3-4-12)7-8-18(2)14(19)9-11-5-6-16-10-13(11)15/h5-6,10,12H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide?
2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide has a molecular weight of 281.79 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide is sourced from PubChem (CID 122134810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).