3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide

C14H15ClN4O — CID 133360689

IUPAC3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)CCNc2ccnc(Cl)c2)nc1
InChIInChI=1S/C14H15ClN4O/c1-10-2-3-13(18-9-10)19-14(20)5-7-16-11-4-6-17-12(15)8-11/h2-4,6,8-9H,5,7H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyMXJYPJZMMICFQG-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.88
Rot. Bonds5

About 3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide

3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 133360689) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID133360689
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)CCNc2ccnc(Cl)c2)nc1
InChIInChI=1S/C14H15ClN4O/c1-10-2-3-13(18-9-10)19-14(20)5-7-16-11-4-6-17-12(15)8-11/h2-4,6,8-9H,5,7H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyMXJYPJZMMICFQG-UHFFFAOYSA-N
XLogP2.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
CID 103911721
N-(5-methyl-2-pyridinyl)-3-[(6-methylpyrimidin-4-yl)amino]propanamide
CID 133301210
3-[(2-chloro-4-pyridinyl)amino]propanamide
CID 102824025
3-[(2-chlorophenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 35026494
3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 51103073
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 35022049
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide
CID 133301188

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide (CID 133360689) is 3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)CCNc2ccnc(Cl)c2)nc1.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is MXJYPJZMMICFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-10-2-3-13(18-9-10)19-14(20)5-7-16-11-4-6-17-12(15)8-11/h2-4,6,8-9H,5,7H2,1H3,(H,16,17)(H,18,19,20).
What are the key properties of 3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide?
3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 290.75 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 133360689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).