6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride

C19H24ClN5O3 — CID 68552530

IUPAC6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride
SMILESCC(C)(C)NCc1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)o1.Cl
InChIInChI=1S/C19H23N5O3.ClH/c1-19(2,3)22-9-11-5-7-14(27-11)10-4-6-12-13(8-10)23-17(24-18(21)26)15(12)16(20)25;/h4-8,22-23H,9H2,1-3H3,(H2,20,25)(H3,21,24,26);1H
InChIKeyLHHBXRBMERNCFY-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.33
Rot. Bonds5

About 6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride

6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride (PubChem CID 68552530) has the molecular formula C19H24ClN5O3 and a molecular weight of 405.89 g/mol. Its IUPAC name is 6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride
PubChem CID68552530
Molecular FormulaC19H24ClN5O3
Molecular Weight405.89 g/mol
Exact Mass405.16
IUPAC Name6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride
SMILESCC(C)(C)NCc1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)o1.Cl
InChIInChI=1S/C19H23N5O3.ClH/c1-19(2,3)22-9-11-5-7-14(27-11)10-4-6-12-13(8-10)23-17(24-18(21)26)15(12)16(20)25;/h4-8,22-23H,9H2,1-3H3,(H2,20,25)(H3,21,24,26);1H
InChIKeyLHHBXRBMERNCFY-UHFFFAOYSA-N
XLogP3.33
TPSA139.17 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride?
The IUPAC name of 6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride (CID 68552530) is 6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride?
The canonical SMILES for 6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride is CC(C)(C)NCc1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)o1.Cl.
What is the InChIKey of 6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride?
The InChIKey is LHHBXRBMERNCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3.ClH/c1-19(2,3)22-9-11-5-7-14(27-11)10-4-6-12-13(8-10)23-17(24-18(21)26)15(12)16(20)25;/h4-8,22-23H,9H2,1-3H3,(H2,20,25)(H3,21,24,26);1H.
What are the key properties of 6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride?
6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride has a molecular weight of 405.89 g/mol, XLogP of 3.33, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 68552530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).