N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide

C23H22ClN5O3 — CID 142786847

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide
SMILESCNC(=O)Nc1cc(C)ccc1C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C23H22ClN5O3/c1-13-5-8-18(17(10-13)22(31)29-20-9-6-15(24)12-26-20)27-21(30)16-7-4-14(2)11-19(16)28-23(32)25-3/h4-12H,1-3H3,(H,27,30)(H2,25,28,32)(H,26,29,31)
InChIKeyHQBSQAALJBDNTI-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.61
Rot. Bonds5

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide (PubChem CID 142786847) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide
PubChem CID142786847
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide
SMILESCNC(=O)Nc1cc(C)ccc1C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C23H22ClN5O3/c1-13-5-8-18(17(10-13)22(31)29-20-9-6-15(24)12-26-20)27-21(30)16-7-4-14(2)11-19(16)28-23(32)25-3/h4-12H,1-3H3,(H,27,30)(H2,25,28,32)(H,26,29,31)
InChIKeyHQBSQAALJBDNTI-UHFFFAOYSA-N
XLogP4.61
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-methyl-2-(methylcarbamoylamino)benzamide
CID 67405272
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(5-chloro-2-pyridinyl)-2-(ethylamino)-5-methylbenzamide
CID 62508806
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide
CID 18728123
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
CID 58780359
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728187
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide
CID 59871653
1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 143758587
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide (CID 142786847) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide is CNC(=O)Nc1cc(C)ccc1C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide?
The InChIKey is HQBSQAALJBDNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c1-13-5-8-18(17(10-13)22(31)29-20-9-6-15(24)12-26-20)27-21(30)16-7-4-14(2)11-19(16)28-23(32)25-3/h4-12H,1-3H3,(H,27,30)(H2,25,28,32)(H,26,29,31).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide has a molecular weight of 451.91 g/mol, XLogP of 4.61, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide is sourced from PubChem (CID 142786847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).