(2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide

C16H22N4O2 — CID 121346625

IUPAC(2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2ccccc21
InChIInChI=1S/C16H22N4O2/c1-16(2,18-15(21)13-10-17-8-9-22-13)14-11-6-4-5-7-12(11)20(3)19-14/h4-7,13,17H,8-10H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyWHNDJETXLOREIT-ZDUSSCGKSA-N
MW302.38 g/mol
LogP0.91
Rot. Bonds3

About (2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide

(2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide (PubChem CID 121346625) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide
PubChem CID121346625
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2ccccc21
InChIInChI=1S/C16H22N4O2/c1-16(2,18-15(21)13-10-17-8-9-22-13)14-11-6-4-5-7-12(11)20(3)19-14/h4-7,13,17H,8-10H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyWHNDJETXLOREIT-ZDUSSCGKSA-N
XLogP0.91
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide (CID 121346625) is (2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide is Cn1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2ccccc21.
What is the InChIKey of (2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide?
The InChIKey is WHNDJETXLOREIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,18-15(21)13-10-17-8-9-22-13)14-11-6-4-5-7-12(11)20(3)19-14/h4-7,13,17H,8-10H2,1-3H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide?
(2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 121346625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).