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

C26H29N5O4 — CID 70227282

IUPACN-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccncn3)c2)o1)C1CCCCC1
InChIInChI=1S/C26H29N5O4/c1-27-26(34)23(18-7-3-2-4-8-18)31-25(33)22-11-10-21(35-22)19-9-5-6-17(14-19)15-29-24(32)20-12-13-28-16-30-20/h5-6,9-14,16,18,23H,2-4,7-8,15H2,1H3,(H,27,34)(H,29,32)(H,31,33)
InChIKeyKCFVQFHCAXDOGF-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.09
Rot. Bonds8

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

N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide (PubChem CID 70227282) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide
PubChem CID70227282
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC NameN-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccncn3)c2)o1)C1CCCCC1
InChIInChI=1S/C26H29N5O4/c1-27-26(34)23(18-7-3-2-4-8-18)31-25(33)22-11-10-21(35-22)19-9-5-6-17(14-19)15-29-24(32)20-12-13-28-16-30-20/h5-6,9-14,16,18,23H,2-4,7-8,15H2,1H3,(H,27,34)(H,29,32)(H,31,33)
InChIKeyKCFVQFHCAXDOGF-UHFFFAOYSA-N
XLogP3.09
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide (CID 70227282) is N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccncn3)c2)o1)C1CCCCC1.
What is the InChIKey of N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is KCFVQFHCAXDOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-27-26(34)23(18-7-3-2-4-8-18)31-25(33)22-11-10-21(35-22)19-9-5-6-17(14-19)15-29-24(32)20-12-13-28-16-30-20/h5-6,9-14,16,18,23H,2-4,7-8,15H2,1H3,(H,27,34)(H,29,32)(H,31,33).
What are the key properties of N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide?
N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 70227282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).