6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide

C20H18N4O2 — CID 38477101

IUPAC6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cn1
InChIInChI=1S/C20H18N4O2/c1-14-7-8-15(13-21-14)19(25)22-17-9-11-18(12-10-17)24-20(26)23-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyZMKQSJCYDDMXID-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.29
Rot. Bonds4

About 6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide

6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide (PubChem CID 38477101) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
PubChem CID38477101
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cn1
InChIInChI=1S/C20H18N4O2/c1-14-7-8-15(13-21-14)19(25)22-17-9-11-18(12-10-17)24-20(26)23-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyZMKQSJCYDDMXID-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

methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
3-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 16793648
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-(3-hydroxyphenyl)-6-methylpyridine-3-carboxamide
CID 28739709
N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 113274656
N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 51985113
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 29367485
N-[4-(ethylaminomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 106910201
N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide
CID 35032477
N-[4-(2-chlorophenoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 30291841
N-[4-(2-hydroxyethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 111113144

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide (CID 38477101) is 6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cn1.
What is the InChIKey of 6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is ZMKQSJCYDDMXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14-7-8-15(13-21-14)19(25)22-17-9-11-18(12-10-17)24-20(26)23-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of 6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide?
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide 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 6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 38477101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).