N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide

C26H34N4O3 — CID 69228392

IUPACN-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)N(C(=O)CNC(=O)c2cccnc2)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C26H34N4O3/c1-18-13-19(2)17-29(16-18)25(33)30(22-10-8-21(9-11-22)26(3,4)5)23(31)15-28-24(32)20-7-6-12-27-14-20/h6-12,14,18-19H,13,15-17H2,1-5H3,(H,28,32)/t18-,19+
InChIKeyGHXQQUVVNQTXBI-KDURUIRLSA-N
MW450.58 g/mol
LogP4.24
Rot. Bonds4

About N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide

N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 69228392) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID69228392
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)N(C(=O)CNC(=O)c2cccnc2)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C26H34N4O3/c1-18-13-19(2)17-29(16-18)25(33)30(22-10-8-21(9-11-22)26(3,4)5)23(31)15-28-24(32)20-7-6-12-27-14-20/h6-12,14,18-19H,13,15-17H2,1-5H3,(H,28,32)/t18-,19+
InChIKeyGHXQQUVVNQTXBI-KDURUIRLSA-N
XLogP4.24
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-[(3R,5S)-3,5-bis(trifluoromethyl)piperidine-1-carbonyl]-4-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 87744756
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122165
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 42901502
N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide
CID 143735206
4-tert-butylphenol;N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 88648286
N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 124595352
N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111146016
3-methylbutan-2-yl 2-(pyridine-3-carbonylamino)acetate
CID 171414103
N-(2-hydrazinyl-2-oxoethyl)pyridine-3-carboxamide
CID 39070404
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 27554699
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide (CID 69228392) is N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide is C[C@@H]1C[C@H](C)CN(C(=O)N(C(=O)CNC(=O)c2cccnc2)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is GHXQQUVVNQTXBI-KDURUIRLSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-18-13-19(2)17-29(16-18)25(33)30(22-10-8-21(9-11-22)26(3,4)5)23(31)15-28-24(32)20-7-6-12-27-14-20/h6-12,14,18-19H,13,15-17H2,1-5H3,(H,28,32)/t18-,19+.
What are the key properties of N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide?
N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 69228392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).