N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide

C19H27N3O3 — CID 71087686

IUPACN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCC(C)(C)C(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O
InChIInChI=1S/C19H27N3O3/c1-19(2,3)15(16(20)23)22-17(24)14-9-8-13(12-6-7-12)18(21-14)25-10-11-4-5-11/h8-9,11-12,15H,4-7,10H2,1-3H3,(H2,20,23)(H,22,24)
InChIKeyQNABCEIFFFLNEQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.38
Rot. Bonds7

About N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (PubChem CID 71087686) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
PubChem CID71087686
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCC(C)(C)C(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O
InChIInChI=1S/C19H27N3O3/c1-19(2,3)15(16(20)23)22-17(24)14-9-8-13(12-6-7-12)18(21-14)25-10-11-4-5-11/h8-9,11-12,15H,4-7,10H2,1-3H3,(H2,20,23)(H,22,24)
InChIKeyQNABCEIFFFLNEQ-UHFFFAOYSA-N
XLogP2.38
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (CID 71087686) is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is CC(C)(C)C(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O.
What is the InChIKey of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The InChIKey is QNABCEIFFFLNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2,3)15(16(20)23)22-17(24)14-9-8-13(12-6-7-12)18(21-14)25-10-11-4-5-11/h8-9,11-12,15H,4-7,10H2,1-3H3,(H2,20,23)(H,22,24).
What are the key properties of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71087686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).