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

C27H30N4O3 — CID 139760995

IUPACethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(OC)nc1C(C)(N)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C27H30N4O3/c1-4-34-26(32)29-22-14-15-24(33-3)30-25(22)27(2,28)16-20-18-31(17-19-10-6-5-7-11-19)23-13-9-8-12-21(20)23/h5-15,18H,4,16-17,28H2,1-3H3,(H,29,32)
InChIKeyDFPNDTYCGYUQFE-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.08
Rot. Bonds8

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

ethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate (PubChem CID 139760995) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is ethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate
PubChem CID139760995
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Nameethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(OC)nc1C(C)(N)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C27H30N4O3/c1-4-34-26(32)29-22-14-15-24(33-3)30-25(22)27(2,28)16-20-18-31(17-19-10-6-5-7-11-19)23-13-9-8-12-21(20)23/h5-15,18H,4,16-17,28H2,1-3H3,(H,29,32)
InChIKeyDFPNDTYCGYUQFE-UHFFFAOYSA-N
XLogP5.08
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate with MolForge

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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-(1-benzylindol-3-yl)propan-2-ylamino]-3-pyridinyl]carbamate
CID 67761705
methyl 2-amino-3-(1-benzylindol-3-yl)propanoate
CID 14659443
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
3-(1-benzylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20780794
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide
CID 16820622
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
(2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 91073519
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41133345
benzyl N-[2-(1-benzylindol-3-yl)ethyl]-N-[3-(trimethylsilylmethyl)but-3-enoyl]carbamate
CID 42604402

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate (CID 139760995) is ethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(OC)nc1C(C)(N)Cc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of ethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate?
The InChIKey is DFPNDTYCGYUQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-4-34-26(32)29-22-14-15-24(33-3)30-25(22)27(2,28)16-20-18-31(17-19-10-6-5-7-11-19)23-13-9-8-12-21(20)23/h5-15,18H,4,16-17,28H2,1-3H3,(H,29,32).
What are the key properties of ethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate?
ethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate has a molecular weight of 458.56 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-amino-1-(1-benzylindol-3-yl)propan-2-yl]-6-methoxy-3-pyridinyl]carbamate is sourced from PubChem (CID 139760995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).