3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide

C17H25N3O3 — CID 123273372

IUPAC3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1nc(OCC2CC2)ccc1NC1CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,10-21)20-16(22)15-13(18-12-5-6-12)7-8-14(19-15)23-9-11-3-4-11/h7-8,11-12,18,21H,3-6,9-10H2,1-2H3,(H,20,22)
InChIKeyYYGJFGOUKDCVLI-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.95
Rot. Bonds8

About 3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide

3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 123273372) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
PubChem CID123273372
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1nc(OCC2CC2)ccc1NC1CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,10-21)20-16(22)15-13(18-12-5-6-12)7-8-14(19-15)23-9-11-3-4-11/h7-8,11-12,18,21H,3-6,9-10H2,1-2H3,(H,20,22)
InChIKeyYYGJFGOUKDCVLI-UHFFFAOYSA-N
XLogP1.95
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide (CID 123273372) is 3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide is CC(C)(CO)NC(=O)c1nc(OCC2CC2)ccc1NC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide?
The InChIKey is YYGJFGOUKDCVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,10-21)20-16(22)15-13(18-12-5-6-12)7-8-14(19-15)23-9-11-3-4-11/h7-8,11-12,18,21H,3-6,9-10H2,1-2H3,(H,20,22).
What are the key properties of 3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide?
3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 123273372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).