N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide

C18H25N3O3 — CID 71087329

IUPACN-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCCC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O
InChIInChI=1S/C18H25N3O3/c1-3-18(2,17(19)23)21-15(22)14-9-8-13(12-6-7-12)16(20-14)24-10-11-4-5-11/h8-9,11-12H,3-7,10H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyRQWVIHJCNAHLON-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.13
Rot. Bonds8

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

N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (PubChem CID 71087329) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
PubChem CID71087329
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCCC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O
InChIInChI=1S/C18H25N3O3/c1-3-18(2,17(19)23)21-15(22)14-9-8-13(12-6-7-12)16(20-14)24-10-11-4-5-11/h8-9,11-12H,3-7,10H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyRQWVIHJCNAHLON-UHFFFAOYSA-N
XLogP2.13
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (CID 71087329) is N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is CCC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The InChIKey is RQWVIHJCNAHLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-18(2,17(19)23)21-15(22)14-9-8-13(12-6-7-12)16(20-14)24-10-11-4-5-11/h8-9,11-12H,3-7,10H2,1-2H3,(H2,19,23)(H,21,22).
What are the key properties of N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71087329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).