4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide

C19H22ClN3O2 — CID 109080015

IUPAC4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O2/c1-3-13(2)23-18(24)15-8-10-21-17(12-15)19(25)22-9-7-14-5-4-6-16(20)11-14/h4-6,8,10-13H,3,7,9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMFEKYWOSHLVSMH-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.24
Rot. Bonds7

About 4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide

4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide (PubChem CID 109080015) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
PubChem CID109080015
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O2/c1-3-13(2)23-18(24)15-8-10-21-17(12-15)19(25)22-9-7-14-5-4-6-16(20)11-14/h4-6,8,10-13H,3,7,9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMFEKYWOSHLVSMH-UHFFFAOYSA-N
XLogP3.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088785
2-(butan-2-ylamino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109297162
4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078681
N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165762
N-[2-(3-chlorophenyl)ethyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210794
4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080050
N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109273196
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090207
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202931
2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109080007
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide (CID 109080015) is 4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide is CCC(C)NC(=O)c1ccnc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The InChIKey is MFEKYWOSHLVSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-3-13(2)23-18(24)15-8-10-21-17(12-15)19(25)22-9-7-14-5-4-6-16(20)11-14/h4-6,8,10-13H,3,7,9H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide?
4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).