ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate

C21H25N3O3 — CID 77086895

IUPACethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2c(-c3ccccc3)ccnc2C)CC1
InChIInChI=1S/C21H25N3O3/c1-3-27-21(26)24-13-10-17(11-14-24)23-20(25)19-15(2)22-12-9-18(19)16-7-5-4-6-8-16/h4-9,12,17H,3,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyPOGZCTUUVHBFQW-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.41
Rot. Bonds4

About ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 77086895) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID77086895
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Nameethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2c(-c3ccccc3)ccnc2C)CC1
InChIInChI=1S/C21H25N3O3/c1-3-27-21(26)24-13-10-17(11-14-24)23-20(25)19-15(2)22-12-9-18(19)16-7-5-4-6-8-16/h4-9,12,17H,3,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyPOGZCTUUVHBFQW-UHFFFAOYSA-N
XLogP3.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate (CID 77086895) is ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2c(-c3ccccc3)ccnc2C)CC1.
What is the InChIKey of ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is POGZCTUUVHBFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-27-21(26)24-13-10-17(11-14-24)23-20(25)19-15(2)22-12-9-18(19)16-7-5-4-6-8-16/h4-9,12,17H,3,10-11,13-14H2,1-2H3,(H,23,25).
What are the key properties of ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 77086895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).