N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide

C15H25N3O — CID 114699824

IUPACN-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCc1ccncc1C
InChIInChI=1S/C15H25N3O/c1-6-15(4,5)18-14(19)12(3)17-10-13-7-8-16-9-11(13)2/h7-9,12,17H,6,10H2,1-5H3,(H,18,19)
InChIKeyOQLWLVRUHCLPLK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.17
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide

N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide (PubChem CID 114699824) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide
PubChem CID114699824
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCc1ccncc1C
InChIInChI=1S/C15H25N3O/c1-6-15(4,5)18-14(19)12(3)17-10-13-7-8-16-9-11(13)2/h7-9,12,17H,6,10H2,1-5H3,(H,18,19)
InChIKeyOQLWLVRUHCLPLK-UHFFFAOYSA-N
XLogP2.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 113221911
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 112668993
2-[(2-methoxy-4-pyridinyl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 62990435
2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide
CID 113406700
N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409616
N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63295598
methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate
CID 114699901
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
ethyl 3,3-dimethyl-2-[(3-methyl-4-pyridinyl)methylcarbamoyl]butanoate
CID 114701619
3-hydroxy-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 81443662
3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700230
2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 78983885

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide (CID 114699824) is N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide is CCC(C)(C)NC(=O)C(C)NCc1ccncc1C.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide?
The InChIKey is OQLWLVRUHCLPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-15(4,5)18-14(19)12(3)17-10-13-7-8-16-9-11(13)2/h7-9,12,17H,6,10H2,1-5H3,(H,18,19).
What are the key properties of N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide?
N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide is sourced from PubChem (CID 114699824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).