ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate

C26H28N4O2 — CID 67761705

IUPACethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)Cc2cn(Cc3ccccc3)c3ccccc23)nc1
InChIInChI=1S/C26H28N4O2/c1-3-32-26(31)29-22-13-14-25(27-16-22)28-19(2)15-21-18-30(17-20-9-5-4-6-10-20)24-12-8-7-11-23(21)24/h4-14,16,18-19H,3,15,17H2,1-2H3,(H,27,28)(H,29,31)
InChIKeyMAKQWMAILDLUBP-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.70
Rot. Bonds8

About ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate

ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate (PubChem CID 67761705) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate
PubChem CID67761705
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Nameethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)Cc2cn(Cc3ccccc3)c3ccccc23)nc1
InChIInChI=1S/C26H28N4O2/c1-3-32-26(31)29-22-13-14-25(27-16-22)28-19(2)15-21-18-30(17-20-9-5-4-6-10-20)24-12-8-7-11-23(21)24/h4-14,16,18-19H,3,15,17H2,1-2H3,(H,27,28)(H,29,31)
InChIKeyMAKQWMAILDLUBP-UHFFFAOYSA-N
XLogP5.70
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[1-(1-benzylindol-3-yl)propan-2-ylamino]-6-methoxy-3-pyridinyl]carbamate
CID 67761076
ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate
CID 113011907
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
methyl 2-amino-3-(1-benzylindol-3-yl)propanoate
CID 14659443
1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
ethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate
CID 139760995
ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate
CID 110178368
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842
3-(1-benzylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20780794
ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate
CID 110179445
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate (CID 67761705) is ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NC(C)Cc2cn(Cc3ccccc3)c3ccccc23)nc1.
What is the InChIKey of ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate?
The InChIKey is MAKQWMAILDLUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-3-32-26(31)29-22-13-14-25(27-16-22)28-19(2)15-21-18-30(17-20-9-5-4-6-10-20)24-12-8-7-11-23(21)24/h4-14,16,18-19H,3,15,17H2,1-2H3,(H,27,28)(H,29,31).
What are the key properties of ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate?
ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate has a molecular weight of 428.54 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[1-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 67761705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).