3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide

C13H21N3O — CID 114700230

IUPAC3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
SMILESCCNC(C)CC(=O)NCc1ccncc1C
InChIInChI=1S/C13H21N3O/c1-4-15-11(3)7-13(17)16-9-12-5-6-14-8-10(12)2/h5-6,8,11,15H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyCVYMHBPXKUDBOS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.39
Rot. Bonds6

About 3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide

3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide (PubChem CID 114700230) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
PubChem CID114700230
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
SMILESCCNC(C)CC(=O)NCc1ccncc1C
InChIInChI=1S/C13H21N3O/c1-4-15-11(3)7-13(17)16-9-12-5-6-14-8-10(12)2/h5-6,8,11,15H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyCVYMHBPXKUDBOS-UHFFFAOYSA-N
XLogP1.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114701979
3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700340
methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate
CID 114699901
3-(ethylamino)-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116566853
3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide
CID 114700236
6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700307
4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114700344
6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700367
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114701374
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide (CID 114700230) is 3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide is CCNC(C)CC(=O)NCc1ccncc1C.
What is the InChIKey of 3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide?
The InChIKey is CVYMHBPXKUDBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-15-11(3)7-13(17)16-9-12-5-6-14-8-10(12)2/h5-6,8,11,15H,4,7,9H2,1-3H3,(H,16,17).
What are the key properties of 3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide?
3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide is sourced from PubChem (CID 114700230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).