ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate

C22H28N4O3 — CID 109194066

IUPACethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(Nc3ccc(C)c(C)c3)cn2)CC1
InChIInChI=1S/C22H28N4O3/c1-4-29-22(28)26-11-9-17(10-12-26)25-21(27)20-8-7-19(14-23-20)24-18-6-5-15(2)16(3)13-18/h5-8,13-14,17,24H,4,9-12H2,1-3H3,(H,25,27)
InChIKeyBGBVUNQLOKSAAW-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.79
Rot. Bonds5

About ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109194066) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109194066
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Nameethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(Nc3ccc(C)c(C)c3)cn2)CC1
InChIInChI=1S/C22H28N4O3/c1-4-29-22(28)26-11-9-17(10-12-26)25-21(27)20-8-7-19(14-23-20)24-18-6-5-15(2)16(3)13-18/h5-8,13-14,17,24H,4,9-12H2,1-3H3,(H,25,27)
InChIKeyBGBVUNQLOKSAAW-UHFFFAOYSA-N
XLogP3.79
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109179694
ethyl 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194138
ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109184058
ethyl 4-[[5-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109238228
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194079
ethyl 4-[[4-(4-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215853
ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109215840
ethyl 4-[[6-[(2,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194100
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194102
ethyl 4-[[6-[(2,6-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194103
ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215860
ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194072

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (CID 109194066) is ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(Nc3ccc(C)c(C)c3)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is BGBVUNQLOKSAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-29-22(28)26-11-9-17(10-12-26)25-21(27)20-8-7-19(14-23-20)24-18-6-5-15(2)16(3)13-18/h5-8,13-14,17,24H,4,9-12H2,1-3H3,(H,25,27).
What are the key properties of ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109194066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).