N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide

C17H18ClN3O2 — CID 8990920

IUPACN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H18ClN3O2/c1-12-2-5-14(11-21-12)17(23)20-9-8-19-16(22)10-13-3-6-15(18)7-4-13/h2-7,11H,8-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyCHEXRDXXJIIYMV-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.13
Rot. Bonds6

About N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide

N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 8990920) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
PubChem CID8990920
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H18ClN3O2/c1-12-2-5-14(11-21-12)17(23)20-9-8-19-16(22)10-13-3-6-15(18)7-4-13/h2-7,11H,8-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyCHEXRDXXJIIYMV-UHFFFAOYSA-N
XLogP2.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
CID 6498633
N'-[2-(4-chlorophenyl)acetyl]-6-methylpyridine-3-carbohydrazide
CID 31117850
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 14639186
N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide
CID 6498671
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
CID 6498652
6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 6498628
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108574115
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 31121475
3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide
CID 38993458

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide (CID 8990920) is N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is CHEXRDXXJIIYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12-2-5-14(11-21-12)17(23)20-9-8-19-16(22)10-13-3-6-15(18)7-4-13/h2-7,11H,8-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide?
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 8990920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).