ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate

C17H26N4O3 — CID 109179694

IUPACethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(NC(C)C)cn2)CC1
InChIInChI=1S/C17H26N4O3/c1-4-24-17(23)21-9-7-13(8-10-21)20-16(22)15-6-5-14(11-18-15)19-12(2)3/h5-6,11-13,19H,4,7-10H2,1-3H3,(H,20,22)
InChIKeyOGFBPYNPKISCSL-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.25
Rot. Bonds5

About ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109179694) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109179694
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nameethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(NC(C)C)cn2)CC1
InChIInChI=1S/C17H26N4O3/c1-4-24-17(23)21-9-7-13(8-10-21)20-16(22)15-6-5-14(11-18-15)19-12(2)3/h5-6,11-13,19H,4,7-10H2,1-3H3,(H,20,22)
InChIKeyOGFBPYNPKISCSL-UHFFFAOYSA-N
XLogP2.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109184058
ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194066
ethyl 4-[(5-pyrrolidin-1-ylpyrazine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109273745
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194079
5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179836
ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109280917
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194102
ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194072
ethyl 4-[[6-[(2,6-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194103
ethyl 4-[[6-[(2,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194100
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (CID 109179694) is ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(NC(C)C)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is OGFBPYNPKISCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-4-24-17(23)21-9-7-13(8-10-21)20-16(22)15-6-5-14(11-18-15)19-12(2)3/h5-6,11-13,19H,4,7-10H2,1-3H3,(H,20,22).
What are the key properties of ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109179694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).