6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide

C23H25N5O2 — CID 118673045

IUPAC6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide
SMILESC[C@@H](Nc1cc(Nc2ccc(C(=O)N(C)C)cc2)ncc1C(N)=O)c1ccccc1
InChIInChI=1S/C23H25N5O2/c1-15(16-7-5-4-6-8-16)26-20-13-21(25-14-19(20)22(24)29)27-18-11-9-17(10-12-18)23(30)28(2)3/h4-15H,1-3H3,(H2,24,29)(H2,25,26,27)/t15-/m1/s1
InChIKeyJKSZGHLUTPCOHU-OAHLLOKOSA-N
MW403.49 g/mol
LogP3.80
Rot. Bonds7

About 6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide

6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide (PubChem CID 118673045) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide
PubChem CID118673045
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide
SMILESC[C@@H](Nc1cc(Nc2ccc(C(=O)N(C)C)cc2)ncc1C(N)=O)c1ccccc1
InChIInChI=1S/C23H25N5O2/c1-15(16-7-5-4-6-8-16)26-20-13-21(25-14-19(20)22(24)29)27-18-11-9-17(10-12-18)23(30)28(2)3/h4-15H,1-3H3,(H2,24,29)(H2,25,26,27)/t15-/m1/s1
InChIKeyJKSZGHLUTPCOHU-OAHLLOKOSA-N
XLogP3.80
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide
CID 76789381
4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide
CID 56970219
4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 67502011
4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide
CID 67423689
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654
4-(benzylamino)-6-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 46219366
4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide
CID 125464660
4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide
CID 67501888
N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112859381
4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide
CID 3235401
6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide
CID 67501790
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide (CID 118673045) is 6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide is C[C@@H](Nc1cc(Nc2ccc(C(=O)N(C)C)cc2)ncc1C(N)=O)c1ccccc1.
What is the InChIKey of 6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide?
The InChIKey is JKSZGHLUTPCOHU-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15(16-7-5-4-6-8-16)26-20-13-21(25-14-19(20)22(24)29)27-18-11-9-17(10-12-18)23(30)28(2)3/h4-15H,1-3H3,(H2,24,29)(H2,25,26,27)/t15-/m1/s1.
What are the key properties of 6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide?
6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118673045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).