6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid

C22H23N5O5S — CID 58439911

IUPAC6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid
SMILESCN(c1ccccc1CNc1cc(Cc2ccc(C(=O)O)cn2)ncc1C(N)=O)S(C)(=O)=O
InChIInChI=1S/C22H23N5O5S/c1-27(33(2,31)32)20-6-4-3-5-14(20)11-26-19-10-17(25-13-18(19)21(23)28)9-16-8-7-15(12-24-16)22(29)30/h3-8,10,12-13H,9,11H2,1-2H3,(H2,23,28)(H,25,26)(H,29,30)
InChIKeyZHYCSIRBFKVPQP-UHFFFAOYSA-N
MW469.52 g/mol
LogP1.87
Rot. Bonds9

About 6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid

6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid (PubChem CID 58439911) has the molecular formula C22H23N5O5S and a molecular weight of 469.52 g/mol. Its IUPAC name is 6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid
PubChem CID58439911
Molecular FormulaC22H23N5O5S
Molecular Weight469.52 g/mol
Exact Mass469.14
IUPAC Name6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid
SMILESCN(c1ccccc1CNc1cc(Cc2ccc(C(=O)O)cn2)ncc1C(N)=O)S(C)(=O)=O
InChIInChI=1S/C22H23N5O5S/c1-27(33(2,31)32)20-6-4-3-5-14(20)11-26-19-10-17(25-13-18(19)21(23)28)9-16-8-7-15(12-24-16)22(29)30/h3-8,10,12-13H,9,11H2,1-2H3,(H2,23,28)(H,25,26)(H,29,30)
InChIKeyZHYCSIRBFKVPQP-UHFFFAOYSA-N
XLogP1.87
TPSA155.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-{3-[4-(Pyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11566404
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
4-aminoquinoline-3-carboxylic Acid
CID 11651286
2-[4-[2-[Hexyl(methyl)amino]ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 155518256
Ethyl 4-[3-(methanesulfonamido)anilino]-6-methylquinoline-3-carboxylate
CID 155927299
3-Butyryl-4-o-tolylamino-quinoline-8-carboxylic acid
CID 9975044
8-carbamoyl-4-[[(3S)-piperidin-3-yl]amino]quinoline-3-carboxylic acid
CID 66763911
2-Methyl-1,6-naphthyridine-3-carboxylic acid
CID 2736907
2-[4-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 71613102
4-[4-(3-Morpholinopropylamino)anilino]quinoline-3-carboxylic acid
CID 122193473
4-[4-[3-(4-Ethylpiperazin-1-yl)propylamino]anilino]quinoline-3-carboxylic acid
CID 122193527
2-Phenyl-1,6-naphthyridine-3-carboxylic acid
CID 2760924

Frequently Asked Questions

What is the IUPAC name of 6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid (CID 58439911) is 6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid is CN(c1ccccc1CNc1cc(Cc2ccc(C(=O)O)cn2)ncc1C(N)=O)S(C)(=O)=O.
What is the InChIKey of 6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is ZHYCSIRBFKVPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5S/c1-27(33(2,31)32)20-6-4-3-5-14(20)11-26-19-10-17(25-13-18(19)21(23)28)9-16-8-7-15(12-24-16)22(29)30/h3-8,10,12-13H,9,11H2,1-2H3,(H2,23,28)(H,25,26)(H,29,30).
What are the key properties of 6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid?
6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid has a molecular weight of 469.52 g/mol, XLogP of 1.87, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-carbamoyl-4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58439911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).