3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide

C23H27N5O3 — CID 68642105

IUPAC3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)c(C[C@H]1COCCN1C(=O)c1cccnc1N)cn2C
InChIInChI=1S/C23H27N5O3/c1-26(2)22(29)15-6-7-20-19(12-15)16(13-27(20)3)11-17-14-31-10-9-28(17)23(30)18-5-4-8-25-21(18)24/h4-8,12-13,17H,9-11,14H2,1-3H3,(H2,24,25)/t17-/m0/s1
InChIKeyCCGVQYUMAHUKRW-KRWDZBQOSA-N
MW421.50 g/mol
LogP1.94
Rot. Bonds4

About 3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide

3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide (PubChem CID 68642105) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide.

Molecular Properties

Compound Name3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide
PubChem CID68642105
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)c(C[C@H]1COCCN1C(=O)c1cccnc1N)cn2C
InChIInChI=1S/C23H27N5O3/c1-26(2)22(29)15-6-7-20-19(12-15)16(13-27(20)3)11-17-14-31-10-9-28(17)23(30)18-5-4-8-25-21(18)24/h4-8,12-13,17H,9-11,14H2,1-3H3,(H2,24,25)/t17-/m0/s1
InChIKeyCCGVQYUMAHUKRW-KRWDZBQOSA-N
XLogP1.94
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide?
The IUPAC name of 3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide (CID 68642105) is 3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide.
What is the SMILES notation for 3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide?
The canonical SMILES for 3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide is CN(C)C(=O)c1ccc2c(c1)c(C[C@H]1COCCN1C(=O)c1cccnc1N)cn2C.
What is the InChIKey of 3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide?
The InChIKey is CCGVQYUMAHUKRW-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-26(2)22(29)15-6-7-20-19(12-15)16(13-27(20)3)11-17-14-31-10-9-28(17)23(30)18-5-4-8-25-21(18)24/h4-8,12-13,17H,9-11,14H2,1-3H3,(H2,24,25)/t17-/m0/s1.
What are the key properties of 3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide?
3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide is sourced from PubChem (CID 68642105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).