4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide

C16H19ClN4O — CID 119845916

IUPAC4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(N)cc2Cl)cn1
InChIInChI=1S/C16H19ClN4O/c1-3-21(4-2)15-8-6-12(10-19-15)20-16(22)13-7-5-11(18)9-14(13)17/h5-10H,3-4,18H2,1-2H3,(H,20,22)
InChIKeyHOWVROFMDJORRH-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.42
Rot. Bonds5

About 4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide

4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide (PubChem CID 119845916) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide
PubChem CID119845916
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(N)cc2Cl)cn1
InChIInChI=1S/C16H19ClN4O/c1-3-21(4-2)15-8-6-12(10-19-15)20-16(22)13-7-5-11(18)9-14(13)17/h5-10H,3-4,18H2,1-2H3,(H,20,22)
InChIKeyHOWVROFMDJORRH-UHFFFAOYSA-N
XLogP3.42
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride
CID 120641638
4-chloro-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 60785572
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide
CID 28748853
2-chloro-N-[1-[[6-(diethylamino)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]-4-nitrobenzamide
CID 55784309
4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide
CID 119852845
3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 126775891
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
CID 16792666
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 103910107
2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119845933
N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide
CID 55844663

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide (CID 119845916) is 4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide is CCN(CC)c1ccc(NC(=O)c2ccc(N)cc2Cl)cn1.
What is the InChIKey of 4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide?
The InChIKey is HOWVROFMDJORRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-3-21(4-2)15-8-6-12(10-19-15)20-16(22)13-7-5-11(18)9-14(13)17/h5-10H,3-4,18H2,1-2H3,(H,20,22).
What are the key properties of 4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide?
4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide has a molecular weight of 318.81 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 119845916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).