N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide

C25H24N4O2S — CID 70315761

IUPACN-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide
SMILESN/C=C(\c1cccnc1)c1cc(C(=O)NC(CN)Cc2ccccc2)sc1-c1ccoc1
InChIInChI=1S/C25H24N4O2S/c26-13-20(11-17-5-2-1-3-6-17)29-25(30)23-12-21(24(32-23)19-8-10-31-16-19)22(14-27)18-7-4-9-28-15-18/h1-10,12,14-16,20H,11,13,26-27H2,(H,29,30)/b22-14+
InChIKeyXWPNIYFDOHOGJQ-HYARGMPZSA-N
MW444.56 g/mol
LogP4.05
Rot. Bonds8

About N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide

N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide (PubChem CID 70315761) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide
PubChem CID70315761
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide
SMILESN/C=C(\c1cccnc1)c1cc(C(=O)NC(CN)Cc2ccccc2)sc1-c1ccoc1
InChIInChI=1S/C25H24N4O2S/c26-13-20(11-17-5-2-1-3-6-17)29-25(30)23-12-21(24(32-23)19-8-10-31-16-19)22(14-27)18-7-4-9-28-15-18/h1-10,12,14-16,20H,11,13,26-27H2,(H,29,30)/b22-14+
InChIKeyXWPNIYFDOHOGJQ-HYARGMPZSA-N
XLogP4.05
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide (CID 70315761) is N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide is N/C=C(\c1cccnc1)c1cc(C(=O)NC(CN)Cc2ccccc2)sc1-c1ccoc1.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide?
The InChIKey is XWPNIYFDOHOGJQ-HYARGMPZSA-N. The full InChI is InChI=1S/C25H24N4O2S/c26-13-20(11-17-5-2-1-3-6-17)29-25(30)23-12-21(24(32-23)19-8-10-31-16-19)22(14-27)18-7-4-9-28-15-18/h1-10,12,14-16,20H,11,13,26-27H2,(H,29,30)/b22-14+.
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide?
N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 4.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 70315761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).