3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride

C11H19Cl2N3O — CID 120503193

IUPAC3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride
SMILESCc1ccncc1NC(=O)C(C)C(C)N.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-7-4-5-13-6-10(7)14-11(15)8(2)9(3)12;;/h4-6,8-9H,12H2,1-3H3,(H,14,15);2*1H
InChIKeyRFRQRCPROITDGK-UHFFFAOYSA-N
MW280.20 g/mol
LogP2.16
Rot. Bonds3

About 3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride

3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride (PubChem CID 120503193) has the molecular formula C11H19Cl2N3O and a molecular weight of 280.20 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride
PubChem CID120503193
Molecular FormulaC11H19Cl2N3O
Molecular Weight280.20 g/mol
Exact Mass279.09
IUPAC Name3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride
SMILESCc1ccncc1NC(=O)C(C)C(C)N.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-7-4-5-13-6-10(7)14-11(15)8(2)9(3)12;;/h4-6,8-9H,12H2,1-3H3,(H,14,15);2*1H
InChIKeyRFRQRCPROITDGK-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-(4-methyl-3-pyridinyl)pentanamide
CID 63327835
2-amino-3-methoxy-N-(4-methyl-3-pyridinyl)propanamide
CID 81089004
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
3-amino-4-[(4-methyl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 64894990
(2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide
CID 63327708
(2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide
CID 169408183
2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide
CID 77004212
1-amino-N-(4-methyl-3-pyridinyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119858196
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522
4-hydroxy-N-(4-methyl-3-pyridinyl)pentanamide
CID 79191742
3-[(3-amino-2-methylbutanoyl)amino]-4-methylbenzoic acid
CID 113416158

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride (CID 120503193) is 3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride is Cc1ccncc1NC(=O)C(C)C(C)N.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride?
The InChIKey is RFRQRCPROITDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.2ClH/c1-7-4-5-13-6-10(7)14-11(15)8(2)9(3)12;;/h4-6,8-9H,12H2,1-3H3,(H,14,15);2*1H.
What are the key properties of 3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride?
3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride has a molecular weight of 280.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride is sourced from PubChem (CID 120503193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).