5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide

C20H29N3O3 — CID 71087591

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C20H29N3O3/c1-12(2)10-17(18(24)21-3)22-19(25)16-9-8-15(14-6-7-14)20(23-16)26-11-13-4-5-13/h8-9,12-14,17H,4-7,10-11H2,1-3H3,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyPBALYXLMTPWHGV-KRWDZBQOSA-N
MW359.47 g/mol
LogP2.64
Rot. Bonds9

About 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide

5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide (PubChem CID 71087591) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide
PubChem CID71087591
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C20H29N3O3/c1-12(2)10-17(18(24)21-3)22-19(25)16-9-8-15(14-6-7-14)20(23-16)26-11-13-4-5-13/h8-9,12-14,17H,4-7,10-11H2,1-3H3,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyPBALYXLMTPWHGV-KRWDZBQOSA-N
XLogP2.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

Analyze 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide (CID 71087591) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide is CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide?
The InChIKey is PBALYXLMTPWHGV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-12(2)10-17(18(24)21-3)22-19(25)16-9-8-15(14-6-7-14)20(23-16)26-11-13-4-5-13/h8-9,12-14,17H,4-7,10-11H2,1-3H3,(H,21,24)(H,22,25)/t17-/m0/s1.
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.64, 9 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)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71087591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).