methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate

C15H18N4O3 — CID 21091219

IUPACmethyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2[nH]cc(CCNC(=O)C3CC3)c2n1
InChIInChI=1S/C15H18N4O3/c1-22-15(21)19-12-5-4-11-13(18-12)10(8-17-11)6-7-16-14(20)9-2-3-9/h4-5,8-9,17H,2-3,6-7H2,1H3,(H,16,20)(H,18,19,21)
InChIKeyNBUBHNQABIVGMF-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.81
Rot. Bonds5

About methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate

methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate (PubChem CID 21091219) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate
PubChem CID21091219
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Namemethyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2[nH]cc(CCNC(=O)C3CC3)c2n1
InChIInChI=1S/C15H18N4O3/c1-22-15(21)19-12-5-4-11-13(18-12)10(8-17-11)6-7-16-14(20)9-2-3-9/h4-5,8-9,17H,2-3,6-7H2,1H3,(H,16,20)(H,18,19,21)
InChIKeyNBUBHNQABIVGMF-UHFFFAOYSA-N
XLogP1.81
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate with MolForge

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Related Compounds

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N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
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N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
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methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate
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N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113084605
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
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methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
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CID 109145805
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate
CID 121003127
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate?
The IUPAC name of methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate (CID 21091219) is methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate.
What is the SMILES notation for methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate?
The canonical SMILES for methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate is COC(=O)Nc1ccc2[nH]cc(CCNC(=O)C3CC3)c2n1.
What is the InChIKey of methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate?
The InChIKey is NBUBHNQABIVGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-22-15(21)19-12-5-4-11-13(18-12)10(8-17-11)6-7-16-14(20)9-2-3-9/h4-5,8-9,17H,2-3,6-7H2,1H3,(H,16,20)(H,18,19,21).
What are the key properties of methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate?
methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate has a molecular weight of 302.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate is sourced from PubChem (CID 21091219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).