N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide

C17H17ClN4O2 — CID 71981380

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNc1ccc(C#N)cn1
InChIInChI=1S/C17H17ClN4O2/c1-11-7-14(15(24-2)8-13(11)18)22-17(23)5-6-20-16-4-3-12(9-19)10-21-16/h3-4,7-8,10H,5-6H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyRWZQQQQBSXBCMU-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.36
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide (PubChem CID 71981380) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide
PubChem CID71981380
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNc1ccc(C#N)cn1
InChIInChI=1S/C17H17ClN4O2/c1-11-7-14(15(24-2)8-13(11)18)22-17(23)5-6-20-16-4-3-12(9-19)10-21-16/h3-4,7-8,10H,5-6H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyRWZQQQQBSXBCMU-UHFFFAOYSA-N
XLogP3.36
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide (CID 71981380) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCNc1ccc(C#N)cn1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide?
The InChIKey is RWZQQQQBSXBCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-11-7-14(15(24-2)8-13(11)18)22-17(23)5-6-20-16-4-3-12(9-19)10-21-16/h3-4,7-8,10H,5-6H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide has a molecular weight of 344.80 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(5-cyano-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 71981380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).