(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide

C18H29N5O2 — CID 75411810

IUPAC(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide
SMILESCN1C[C@H](NCc2cnn(C)c2)CCC[C@@H](C(=O)NC2CC2)CC1=O
InChIInChI=1S/C18H29N5O2/c1-22-12-16(19-9-13-10-20-23(2)11-13)5-3-4-14(8-17(22)24)18(25)21-15-6-7-15/h10-11,14-16,19H,3-9,12H2,1-2H3,(H,21,25)/t14-,16-/m1/s1
InChIKeyPJQJVAVWCPVKJM-GDBMZVCRSA-N
MW347.46 g/mol
LogP0.81
Rot. Bonds5

About (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide

(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide (PubChem CID 75411810) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide
PubChem CID75411810
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide
SMILESCN1C[C@H](NCc2cnn(C)c2)CCC[C@@H](C(=O)NC2CC2)CC1=O
InChIInChI=1S/C18H29N5O2/c1-22-12-16(19-9-13-10-20-23(2)11-13)5-3-4-14(8-17(22)24)18(25)21-15-6-7-15/h10-11,14-16,19H,3-9,12H2,1-2H3,(H,21,25)/t14-,16-/m1/s1
InChIKeyPJQJVAVWCPVKJM-GDBMZVCRSA-N
XLogP0.81
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide (CID 75411810) is (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide is CN1C[C@H](NCc2cnn(C)c2)CCC[C@@H](C(=O)NC2CC2)CC1=O.
What is the InChIKey of (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide?
The InChIKey is PJQJVAVWCPVKJM-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-22-12-16(19-9-13-10-20-23(2)11-13)5-3-4-14(8-17(22)24)18(25)21-15-6-7-15/h10-11,14-16,19H,3-9,12H2,1-2H3,(H,21,25)/t14-,16-/m1/s1.
What are the key properties of (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide?
(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).