N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide

C10H14ClN3O — CID 65489682

IUPACN-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C10H14ClN3O/c1-7-3-6-13-10(11)9(7)14-8(15)4-5-12-2/h3,6,12H,4-5H2,1-2H3,(H,14,15)
InChIKeyPMKBMDCOUIXKNO-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.59
Rot. Bonds4

About N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide

N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide (PubChem CID 65489682) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide
PubChem CID65489682
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C10H14ClN3O/c1-7-3-6-13-10(11)9(7)14-8(15)4-5-12-2/h3,6,12H,4-5H2,1-2H3,(H,14,15)
InChIKeyPMKBMDCOUIXKNO-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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

3-[(2-chloro-4-methyl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 65490498
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 65491474
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 82688748
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide
CID 65490877
2-[2-[(2-chloro-4-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570056
N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide
CID 116795042
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501
3-(methylamino)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240940
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 79812641
N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide
CID 65489482
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-chloro-4-methyl-3-pyridinyl)acetamide
CID 79614972

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide?
The IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide (CID 65489682) is N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide?
The canonical SMILES for N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide is CNCCC(=O)Nc1c(C)ccnc1Cl.
What is the InChIKey of N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide?
The InChIKey is PMKBMDCOUIXKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-3-6-13-10(11)9(7)14-8(15)4-5-12-2/h3,6,12H,4-5H2,1-2H3,(H,14,15).
What are the key properties of N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide?
N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide has a molecular weight of 227.69 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide is sourced from PubChem (CID 65489682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).