5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide

C20H29N3O3 — CID 71087381

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(C)(C)C
InChIInChI=1S/C20H29N3O3/c1-20(2,3)16(18(25)21-4)23-17(24)15-10-9-14(13-7-8-13)19(22-15)26-11-12-5-6-12/h9-10,12-13,16H,5-8,11H2,1-4H3,(H,21,25)(H,23,24)/t16-/m1/s1
InChIKeyQYRXPOVMJPLPCV-MRXNPFEDSA-N
MW359.47 g/mol
LogP2.64
Rot. Bonds7

About 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide

5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide (PubChem CID 71087381) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide
PubChem CID71087381
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(C)(C)C
InChIInChI=1S/C20H29N3O3/c1-20(2,3)16(18(25)21-4)23-17(24)15-10-9-14(13-7-8-13)19(22-15)26-11-12-5-6-12/h9-10,12-13,16H,5-8,11H2,1-4H3,(H,21,25)(H,23,24)/t16-/m1/s1
InChIKeyQYRXPOVMJPLPCV-MRXNPFEDSA-N
XLogP2.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide (CID 71087381) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(C)(C)C.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide?
The InChIKey is QYRXPOVMJPLPCV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-20(2,3)16(18(25)21-4)23-17(24)15-10-9-14(13-7-8-13)19(22-15)26-11-12-5-6-12/h9-10,12-13,16H,5-8,11H2,1-4H3,(H,21,25)(H,23,24)/t16-/m1/s1.
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71087381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).