N-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide

C23H29N5O2 — CID 155195444

IUPACN-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CO[C@H](c2ccc(N)nc2)CN1CCCCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H29N5O2/c1-16-15-30-21(18-8-9-22(24)26-13-18)14-28(16)11-5-4-10-25-23(29)20-12-17-6-2-3-7-19(17)27-20/h2-3,6-9,12-13,16,21,27H,4-5,10-11,14-15H2,1H3,(H2,24,26)(H,25,29)/t16-,21-/m0/s1
InChIKeyCTDCQQXDSZWWIE-KKSFZXQISA-N
MW407.52 g/mol
LogP3.12
Rot. Bonds7

About N-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide

N-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide (PubChem CID 155195444) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide
PubChem CID155195444
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CO[C@H](c2ccc(N)nc2)CN1CCCCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H29N5O2/c1-16-15-30-21(18-8-9-22(24)26-13-18)14-28(16)11-5-4-10-25-23(29)20-12-17-6-2-3-7-19(17)27-20/h2-3,6-9,12-13,16,21,27H,4-5,10-11,14-15H2,1H3,(H2,24,26)(H,25,29)/t16-,21-/m0/s1
InChIKeyCTDCQQXDSZWWIE-KKSFZXQISA-N
XLogP3.12
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide (CID 155195444) is N-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide is C[C@H]1CO[C@H](c2ccc(N)nc2)CN1CCCCNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide?
The InChIKey is CTDCQQXDSZWWIE-KKSFZXQISA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-15-30-21(18-8-9-22(24)26-13-18)14-28(16)11-5-4-10-25-23(29)20-12-17-6-2-3-7-19(17)27-20/h2-3,6-9,12-13,16,21,27H,4-5,10-11,14-15H2,1H3,(H2,24,26)(H,25,29)/t16-,21-/m0/s1.
What are the key properties of N-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide?
N-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155195444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).