N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide

C20H26N4O2 — CID 101130382

IUPACN-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccnc(-c2cc(NC(=O)C(C)(C)C)ccn2)c1
InChIInChI=1S/C20H26N4O2/c1-19(2,3)18(26)23-14-8-10-22-16(12-14)15-11-13(7-9-21-15)17(25)24-20(4,5)6/h7-12H,1-6H3,(H,24,25)(H,22,23,26)
InChIKeyOLARWNFFQIKVIW-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.66
Rot. Bonds3

About N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide

N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 101130382) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide
PubChem CID101130382
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccnc(-c2cc(NC(=O)C(C)(C)C)ccn2)c1
InChIInChI=1S/C20H26N4O2/c1-19(2,3)18(26)23-14-8-10-22-16(12-14)15-11-13(7-9-21-15)17(25)24-20(4,5)6/h7-12H,1-6H3,(H,24,25)(H,22,23,26)
InChIKeyOLARWNFFQIKVIW-UHFFFAOYSA-N
XLogP3.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
N-tert-butyl-3-(2,2-dimethylpropanoylcarbamothioylamino)benzamide
CID 28639697
4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089304
4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid
CID 102503336
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109089181
3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 43045588
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355
4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109089232
1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056044
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide (CID 101130382) is N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide is CC(C)(C)NC(=O)c1ccnc(-c2cc(NC(=O)C(C)(C)C)ccn2)c1.
What is the InChIKey of N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is OLARWNFFQIKVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-19(2,3)18(26)23-14-8-10-22-16(12-14)15-11-13(7-9-21-15)17(25)24-20(4,5)6/h7-12H,1-6H3,(H,24,25)(H,22,23,26).
What are the key properties of N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide?
N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 101130382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).