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

C27H35N5O2 — CID 155202852

IUPACN-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CCC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H35N5O2/c1-18-17-34-25(21-8-11-26(28)29-15-21)16-32(18)13-12-19-6-9-22(10-7-19)30-27(33)24-14-20-4-2-3-5-23(20)31-24/h2-5,8,11,14-15,18-19,22,25,31H,6-7,9-10,12-13,16-17H2,1H3,(H2,28,29)(H,30,33)/t18-,19?,22?,25+/m0/s1
InChIKeyADDKZOUNFAZVBP-PJBCDTOXSA-N
MW461.61 g/mol
LogP4.29
Rot. Bonds6

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

N-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 155202852) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID155202852
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC NameN-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CCC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H35N5O2/c1-18-17-34-25(21-8-11-26(28)29-15-21)16-32(18)13-12-19-6-9-22(10-7-19)30-27(33)24-14-20-4-2-3-5-23(20)31-24/h2-5,8,11,14-15,18-19,22,25,31H,6-7,9-10,12-13,16-17H2,1H3,(H2,28,29)(H,30,33)/t18-,19?,22?,25+/m0/s1
InChIKeyADDKZOUNFAZVBP-PJBCDTOXSA-N
XLogP4.29
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-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 N-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide (CID 155202852) is N-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide is C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CCC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is ADDKZOUNFAZVBP-PJBCDTOXSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-18-17-34-25(21-8-11-26(28)29-15-21)16-32(18)13-12-19-6-9-22(10-7-19)30-27(33)24-14-20-4-2-3-5-23(20)31-24/h2-5,8,11,14-15,18-19,22,25,31H,6-7,9-10,12-13,16-17H2,1H3,(H2,28,29)(H,30,33)/t18-,19?,22?,25+/m0/s1.
What are the key properties of N-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide?
N-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155202852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).