N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide

C23H28N2O — CID 159404342

IUPACN-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide
SMILESCC(C)(C)C(c1ccccn1)N(C(=O)C1=C2C=CC=C2C=C1)C(C)(C)C
InChIInChI=1S/C23H28N2O/c1-22(2,3)20(19-12-7-8-15-24-19)25(23(4,5)6)21(26)18-14-13-16-10-9-11-17(16)18/h7-15,20H,1-6H3
InChIKeyLNTHPADFIMINIF-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.16
Rot. Bonds3

About N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide

N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide (PubChem CID 159404342) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide
PubChem CID159404342
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide
SMILESCC(C)(C)C(c1ccccn1)N(C(=O)C1=C2C=CC=C2C=C1)C(C)(C)C
InChIInChI=1S/C23H28N2O/c1-22(2,3)20(19-12-7-8-15-24-19)25(23(4,5)6)21(26)18-14-13-16-10-9-11-17(16)18/h7-15,20H,1-6H3
InChIKeyLNTHPADFIMINIF-UHFFFAOYSA-N
XLogP5.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide
CID 141292841
1-N,1-N,2-trimethyl-1-pyridin-2-ylpropane-1,2-diamine
CID 116904567
(1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one
CID 166005900
2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 103930332
2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid
CID 79268256
(2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 113353567
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-(1-chloro-2,2-dimethylpropyl)pyridine
CID 146396915
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid
CID 116953575
4-(dimethylamino)-4-pyridin-2-ylbutan-2-one
CID 82125654
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide?
The IUPAC name of N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide (CID 159404342) is N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide.
What is the SMILES notation for N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide?
The canonical SMILES for N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide is CC(C)(C)C(c1ccccn1)N(C(=O)C1=C2C=CC=C2C=C1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide?
The InChIKey is LNTHPADFIMINIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-22(2,3)20(19-12-7-8-15-24-19)25(23(4,5)6)21(26)18-14-13-16-10-9-11-17(16)18/h7-15,20H,1-6H3.
What are the key properties of N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide?
N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide is sourced from PubChem (CID 159404342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).