N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide

C11H16ClN3O — CID 60853808

IUPACN-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C11H16ClN3O/c1-8(2)13-7-5-10(16)15-9-4-3-6-14-11(9)12/h3-4,6,8,13H,5,7H2,1-2H3,(H,15,16)
InChIKeyVAEJHFMHUNWFJO-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.06
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide

N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide (PubChem CID 60853808) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide
PubChem CID60853808
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C11H16ClN3O/c1-8(2)13-7-5-10(16)15-9-4-3-6-14-11(9)12/h3-4,6,8,13H,5,7H2,1-2H3,(H,15,16)
InChIKeyVAEJHFMHUNWFJO-UHFFFAOYSA-N
XLogP2.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.06
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-(2-chloro-3-pyridinyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923068
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea
CID 108895086
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60853978
4-(propan-2-ylamino)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379540
1-(2-chloro-3-pyridinyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111486854
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 9129529
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43579885
N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691996
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]azanium
CID 9397823

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide (CID 60853808) is N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is VAEJHFMHUNWFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(2)13-7-5-10(16)15-9-4-3-6-14-11(9)12/h3-4,6,8,13H,5,7H2,1-2H3,(H,15,16).
What are the key properties of N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide?
N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 241.72 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60853808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).