N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide

C22H21N5O4 — CID 55634332

IUPACN-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1NCC(=O)NNC(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H21N5O4/c1-31-19-10-3-2-9-18(19)24-14-20(28)26-27-22(30)15-6-4-8-17(12-15)25-21(29)16-7-5-11-23-13-16/h2-13,24H,14H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyWBSMIXRPZPPNRL-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.22
Rot. Bonds7

About N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 55634332) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID55634332
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC NameN-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1NCC(=O)NNC(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H21N5O4/c1-31-19-10-3-2-9-18(19)24-14-20(28)26-27-22(30)15-6-4-8-17(12-15)25-21(29)16-7-5-11-23-13-16/h2-13,24H,14H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyWBSMIXRPZPPNRL-UHFFFAOYSA-N
XLogP2.22
TPSA121.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
3-[[2-(2-methoxyanilino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54817220
1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea
CID 8617883
N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630301
5-N-(2-methoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108873
2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide
CID 55791205
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55633445
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817532
N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55633764
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide (CID 55634332) is N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide is COc1ccccc1NCC(=O)NNC(=O)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is WBSMIXRPZPPNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-31-19-10-3-2-9-18(19)24-14-20(28)26-27-22(30)15-6-4-8-17(12-15)25-21(29)16-7-5-11-23-13-16/h2-13,24H,14H2,1H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 2.22, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55634332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).