N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide

C23H25N5O2 — CID 86851018

IUPACN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide
SMILESCCCn1c(C)c(C(=O)NCc2ccnc(-n3ccnc3)c2)c2cc(OC)ccc21
InChIInChI=1S/C23H25N5O2/c1-4-10-28-16(2)22(19-13-18(30-3)5-6-20(19)28)23(29)26-14-17-7-8-25-21(12-17)27-11-9-24-15-27/h5-9,11-13,15H,4,10,14H2,1-3H3,(H,26,29)
InChIKeyUGQBTOMKBMWTHY-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.88
Rot. Bonds7

About N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide (PubChem CID 86851018) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide
PubChem CID86851018
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide
SMILESCCCn1c(C)c(C(=O)NCc2ccnc(-n3ccnc3)c2)c2cc(OC)ccc21
InChIInChI=1S/C23H25N5O2/c1-4-10-28-16(2)22(19-13-18(30-3)5-6-20(19)28)23(29)26-14-17-7-8-25-21(12-17)27-11-9-24-15-27/h5-9,11-13,15H,4,10,14H2,1-3H3,(H,26,29)
InChIKeyUGQBTOMKBMWTHY-UHFFFAOYSA-N
XLogP3.88
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide with MolForge

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Related Compounds

3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide
CID 60526229
1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide
CID 112820584
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119859956
N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide
CID 109479265
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 136523432
N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
CID 24804939
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide
CID 136526673
3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60592788
2-(cyclopropylmethylamino)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119859974
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 136576880
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
CID 47060911
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56816401

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide?
The IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide (CID 86851018) is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide is CCCn1c(C)c(C(=O)NCc2ccnc(-n3ccnc3)c2)c2cc(OC)ccc21.
What is the InChIKey of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide?
The InChIKey is UGQBTOMKBMWTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-4-10-28-16(2)22(19-13-18(30-3)5-6-20(19)28)23(29)26-14-17-7-8-25-21(12-17)27-11-9-24-15-27/h5-9,11-13,15H,4,10,14H2,1-3H3,(H,26,29).
What are the key properties of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide?
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide is sourced from PubChem (CID 86851018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).