N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide

C19H31N3O — CID 3041490

IUPACN-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(C)CN1CCCCCC1(C)C
InChIInChI=1S/C19H31N3O/c1-5-18(23)22(17-11-7-9-13-20-17)16(2)15-21-14-10-6-8-12-19(21,3)4/h7,9,11,13,16H,5-6,8,10,12,14-15H2,1-4H3
InChIKeyQMICATGVVZZVQV-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.87
Rot. Bonds5

About N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide

N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide (PubChem CID 3041490) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
PubChem CID3041490
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(C)CN1CCCCCC1(C)C
InChIInChI=1S/C19H31N3O/c1-5-18(23)22(17-11-7-9-13-20-17)16(2)15-21-14-10-6-8-12-19(21,3)4/h7,9,11,13,16H,5-6,8,10,12,14-15H2,1-4H3
InChIKeyQMICATGVVZZVQV-UHFFFAOYSA-N
XLogP3.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide (CID 3041490) is N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide is CCC(=O)N(c1ccccn1)C(C)CN1CCCCCC1(C)C.
What is the InChIKey of N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is QMICATGVVZZVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-18(23)22(17-11-7-9-13-20-17)16(2)15-21-14-10-6-8-12-19(21,3)4/h7,9,11,13,16H,5-6,8,10,12,14-15H2,1-4H3.
What are the key properties of N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 317.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 3041490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).