N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C14H20N4O2 — CID 97444383

IUPACN-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N[C@H]1CCCCNC1=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C14H20N4O2/c19-13-11(7-3-4-8-15-13)16-14(20)12-9-5-1-2-6-10(9)17-18-12/h11H,1-8H2,(H,15,19)(H,16,20)(H,17,18)/t11-/m0/s1
InChIKeyUYQXJGLAKYWPHG-NSHDSACASA-N
MW276.34 g/mol
LogP0.69
Rot. Bonds2

About N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 97444383) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID97444383
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N[C@H]1CCCCNC1=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C14H20N4O2/c19-13-11(7-3-4-8-15-13)16-14(20)12-9-5-1-2-6-10(9)17-18-12/h11H,1-8H2,(H,15,19)(H,16,20)(H,17,18)/t11-/m0/s1
InChIKeyUYQXJGLAKYWPHG-NSHDSACASA-N
XLogP0.69
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 97444383) is N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(N[C@H]1CCCCNC1=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is UYQXJGLAKYWPHG-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13-11(7-3-4-8-15-13)16-14(20)12-9-5-1-2-6-10(9)17-18-12/h11H,1-8H2,(H,15,19)(H,16,20)(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 97444383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).