N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide

C15H16ClN3O — CID 133360082

IUPACN-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide
SMILESCC(Nc1ccnc(Cl)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-11(19-13-7-8-17-14(16)9-13)15(20)18-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyPCAQXVMRWHKSHJ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.85
Rot. Bonds5

About N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide

N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide (PubChem CID 133360082) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide
PubChem CID133360082
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide
SMILESCC(Nc1ccnc(Cl)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-11(19-13-7-8-17-14(16)9-13)15(20)18-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyPCAQXVMRWHKSHJ-UHFFFAOYSA-N
XLogP2.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.85
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

(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
CID 25346914
(2R)-2-(1,3-benzodioxol-5-ylamino)-N-benzylpropanamide
CID 40680582
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
CID 102824081
N-benzyl-2-(4-tert-butylanilino)propanamide
CID 134062813
2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 102824371
6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide
CID 94588614
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 51925493
methyl 5-[[1-(benzylamino)-1-oxopropan-2-yl]amino]-2-nitrobenzoate
CID 60570012
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
(2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
CID 94750026

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide?
The IUPAC name of N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide (CID 133360082) is N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide.
What is the SMILES notation for N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide?
The canonical SMILES for N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide is CC(Nc1ccnc(Cl)c1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide?
The InChIKey is PCAQXVMRWHKSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-11(19-13-7-8-17-14(16)9-13)15(20)18-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide?
N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide has a molecular weight of 289.77 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide is sourced from PubChem (CID 133360082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).