N-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide

C29H32N4O2 — CID 44524837

IUPACN-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2ccc(CN(C)C3CCC(NC(=O)c4cc5ccccc5[nH]4)CC3)cc2)cn1
InChIInChI=1S/C29H32N4O2/c1-33(19-20-7-9-21(10-8-20)23-11-16-28(35-2)30-18-23)25-14-12-24(13-15-25)31-29(34)27-17-22-5-3-4-6-26(22)32-27/h3-11,16-18,24-25,32H,12-15,19H2,1-2H3,(H,31,34)
InChIKeyPRDDYFVALBCVRV-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.41
Rot. Bonds7

About N-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide

N-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 44524837) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID44524837
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2ccc(CN(C)C3CCC(NC(=O)c4cc5ccccc5[nH]4)CC3)cc2)cn1
InChIInChI=1S/C29H32N4O2/c1-33(19-20-7-9-21(10-8-20)23-11-16-28(35-2)30-18-23)25-14-12-24(13-15-25)31-29(34)27-17-22-5-3-4-6-26(22)32-27/h3-11,16-18,24-25,32H,12-15,19H2,1-2H3,(H,31,34)
InChIKeyPRDDYFVALBCVRV-UHFFFAOYSA-N
XLogP5.41
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide (CID 44524837) is N-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide is COc1ccc(-c2ccc(CN(C)C3CCC(NC(=O)c4cc5ccccc5[nH]4)CC3)cc2)cn1.
What is the InChIKey of N-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is PRDDYFVALBCVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-33(19-20-7-9-21(10-8-20)23-11-16-28(35-2)30-18-23)25-14-12-24(13-15-25)31-29(34)27-17-22-5-3-4-6-26(22)32-27/h3-11,16-18,24-25,32H,12-15,19H2,1-2H3,(H,31,34).
What are the key properties of N-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide?
N-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl-methylamino]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44524837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).