N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide

C26H31N5O4 — CID 70226655

IUPACN-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(CNC(=O)c3ccnn3C)cc2)o1)C1CCCCC1
InChIInChI=1S/C26H31N5O4/c1-27-26(34)23(19-6-4-3-5-7-19)30-25(33)22-13-12-21(35-22)18-10-8-17(9-11-18)16-28-24(32)20-14-15-29-31(20)2/h8-15,19,23H,3-7,16H2,1-2H3,(H,27,34)(H,28,32)(H,30,33)
InChIKeyTWBRWQVBCAHPNJ-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.03
Rot. Bonds8

About N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide

N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 70226655) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
PubChem CID70226655
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC NameN-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(CNC(=O)c3ccnn3C)cc2)o1)C1CCCCC1
InChIInChI=1S/C26H31N5O4/c1-27-26(34)23(19-6-4-3-5-7-19)30-25(33)22-13-12-21(35-22)18-10-8-17(9-11-18)16-28-24(32)20-14-15-29-31(20)2/h8-15,19,23H,3-7,16H2,1-2H3,(H,27,34)(H,28,32)(H,30,33)
InChIKeyTWBRWQVBCAHPNJ-UHFFFAOYSA-N
XLogP3.03
TPSA118.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide (CID 70226655) is N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2ccc(CNC(=O)c3ccnn3C)cc2)o1)C1CCCCC1.
What is the InChIKey of N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is TWBRWQVBCAHPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-27-26(34)23(19-6-4-3-5-7-19)30-25(33)22-13-12-21(35-22)18-10-8-17(9-11-18)16-28-24(32)20-14-15-29-31(20)2/h8-15,19,23H,3-7,16H2,1-2H3,(H,27,34)(H,28,32)(H,30,33).
What are the key properties of N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide?
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 70226655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).