N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide

C14H23N3O — CID 108993197

IUPACN-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCC(C)CNCC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C14H23N3O/c1-12(2)10-16-11-14(18)17(3)9-6-13-4-7-15-8-5-13/h4-5,7-8,12,16H,6,9-11H2,1-3H3
InChIKeyKVPCRORDDRVCTO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.33
Rot. Bonds7

About N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide

N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 108993197) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID108993197
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCC(C)CNCC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C14H23N3O/c1-12(2)10-16-11-14(18)17(3)9-6-13-4-7-15-8-5-13/h4-5,7-8,12,16H,6,9-11H2,1-3H3
InChIKeyKVPCRORDDRVCTO-UHFFFAOYSA-N
XLogP1.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 108996378
N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 109001500
2-amino-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]acetamide
CID 54944012
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113147692
3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid
CID 62966262
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001538

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide (CID 108993197) is N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide is CC(C)CNCC(=O)N(C)CCc1ccncc1.
What is the InChIKey of N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is KVPCRORDDRVCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(2)10-16-11-14(18)17(3)9-6-13-4-7-15-8-5-13/h4-5,7-8,12,16H,6,9-11H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide?
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 108993197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).