tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate

C29H34N4O3 — CID 58447664

IUPACtert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)ccn1
InChIInChI=1S/C29H34N4O3/c1-20-17-24(11-14-30-20)22-7-5-21(6-8-22)18-27(34)32-26-10-9-25(19-31-26)23-12-15-33(16-13-23)28(35)36-29(2,3)4/h5-11,14,17,19,23H,12-13,15-16,18H2,1-4H3,(H,31,32,34)
InChIKeyONTQFHLDAHOYRQ-UHFFFAOYSA-N
MW486.62 g/mol
LogP5.75
Rot. Bonds5

About tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate (PubChem CID 58447664) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate
PubChem CID58447664
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC Nametert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)ccn1
InChIInChI=1S/C29H34N4O3/c1-20-17-24(11-14-30-20)22-7-5-21(6-8-22)18-27(34)32-26-10-9-25(19-31-26)23-12-15-33(16-13-23)28(35)36-29(2,3)4/h5-11,14,17,19,23H,12-13,15-16,18H2,1-4H3,(H,31,32,34)
InChIKeyONTQFHLDAHOYRQ-UHFFFAOYSA-N
XLogP5.75
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate with MolForge

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Related Compounds

Difenpiramide
CID 100472
Wnt-974
CID 46926973
BPKDi
CID 46901383
Gnf6231
CID 46927297
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
2''-Phenylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Methyl Amide
CID 46901384
US10251893, Cpd 51
CID 46926891
N-[2,3'-Bipyridin]-6'-yl-2',3-dimethyl[2,4'-bipyridine]-5-acetamide
CID 46927131
US10251893, Cpd 126
CID 46927132
US10251893, Cpd 128
CID 46927133
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate (CID 58447664) is tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate is Cc1cc(-c2ccc(CC(=O)Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)ccn1.
What is the InChIKey of tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate?
The InChIKey is ONTQFHLDAHOYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-20-17-24(11-14-30-20)22-7-5-21(6-8-22)18-27(34)32-26-10-9-25(19-31-26)23-12-15-33(16-13-23)28(35)36-29(2,3)4/h5-11,14,17,19,23H,12-13,15-16,18H2,1-4H3,(H,31,32,34).
What are the key properties of tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate has a molecular weight of 486.62 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 58447664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).