N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide

C10H14ClN3O — CID 81489773

IUPACN-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C10H14ClN3O/c1-7(5-12-2)10(15)14-8-3-4-9(11)13-6-8/h3-4,6-7,12H,5H2,1-2H3,(H,14,15)
InChIKeyFDCSYVSWBHFPIR-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.53
Rot. Bonds4

About N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide

N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 81489773) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
PubChem CID81489773
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C10H14ClN3O/c1-7(5-12-2)10(15)14-8-3-4-9(11)13-6-8/h3-4,6-7,12H,5H2,1-2H3,(H,14,15)
InChIKeyFDCSYVSWBHFPIR-UHFFFAOYSA-N
XLogP1.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 103811557
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119893837
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119842771
2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195612
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
(2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide
CID 81425127

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide (CID 81489773) is N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is FDCSYVSWBHFPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7(5-12-2)10(15)14-8-3-4-9(11)13-6-8/h3-4,6-7,12H,5H2,1-2H3,(H,14,15).
What are the key properties of N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide?
N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 227.69 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 81489773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).