N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide

C20H18N4O2 — CID 35032477

IUPACN-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide
SMILESCc1cccnc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H18N4O2/c1-14-6-5-13-21-18(14)24-19(25)15-9-11-17(12-10-15)23-20(26)22-16-7-3-2-4-8-16/h2-13H,1H3,(H,21,24,25)(H2,22,23,26)
InChIKeyRHIWFHQBEKQIDP-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.29
Rot. Bonds4

About N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide

N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide (PubChem CID 35032477) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide
PubChem CID35032477
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide
SMILESCc1cccnc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H18N4O2/c1-14-6-5-13-21-18(14)24-19(25)15-9-11-17(12-10-15)23-20(26)22-16-7-3-2-4-8-16/h2-13H,1H3,(H,21,24,25)(H2,22,23,26)
InChIKeyRHIWFHQBEKQIDP-UHFFFAOYSA-N
XLogP4.29
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(3-methyl-2-pyridinyl)benzamide
CID 55042397
1-(3-methyl-2-pyridinyl)-3-(4-phenylphenyl)urea
CID 108867188
N-(3-methyl-2-pyridinyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24981657
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477101
1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea
CID 6464451
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide
CID 170977094
1-(3-methyl-2-pyridinyl)-3-phenylthiourea
CID 782010
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 11403664
N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide (CID 35032477) is N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide is Cc1cccnc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide?
The InChIKey is RHIWFHQBEKQIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14-6-5-13-21-18(14)24-19(25)15-9-11-17(12-10-15)23-20(26)22-16-7-3-2-4-8-16/h2-13H,1H3,(H,21,24,25)(H2,22,23,26).
What are the key properties of N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide?
N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide has a molecular weight of 346.39 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 35032477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).