N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide

C29H31N5O4 — CID 70225462

IUPACN-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(NC(=O)c3cn4cccc(C)c4n3)cc2)o1)C1CCCCC1
InChIInChI=1S/C29H31N5O4/c1-18-7-6-16-34-17-22(32-26(18)34)27(35)31-21-12-10-19(11-13-21)23-14-15-24(38-23)28(36)33-25(29(37)30-2)20-8-4-3-5-9-20/h6-7,10-17,20,25H,3-5,8-9H2,1-2H3,(H,30,37)(H,31,35)(H,33,36)
InChIKeyPQCSXYJPGKGJIB-UHFFFAOYSA-N
MW513.60 g/mol
LogP4.58
Rot. Bonds7

About N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 70225462) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID70225462
Molecular FormulaC29H31N5O4
Molecular Weight513.60 g/mol
Exact Mass513.24
IUPAC NameN-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(NC(=O)c3cn4cccc(C)c4n3)cc2)o1)C1CCCCC1
InChIInChI=1S/C29H31N5O4/c1-18-7-6-16-34-17-22(32-26(18)34)27(35)31-21-12-10-19(11-13-21)23-14-15-24(38-23)28(36)33-25(29(37)30-2)20-8-4-3-5-9-20/h6-7,10-17,20,25H,3-5,8-9H2,1-2H3,(H,30,37)(H,31,35)(H,33,36)
InChIKeyPQCSXYJPGKGJIB-UHFFFAOYSA-N
XLogP4.58
TPSA117.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 54.58
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]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 70225462) is N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2ccc(NC(=O)c3cn4cccc(C)c4n3)cc2)o1)C1CCCCC1.
What is the InChIKey of N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is PQCSXYJPGKGJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-18-7-6-16-34-17-22(32-26(18)34)27(35)31-21-12-10-19(11-13-21)23-14-15-24(38-23)28(36)33-25(29(37)30-2)20-8-4-3-5-9-20/h6-7,10-17,20,25H,3-5,8-9H2,1-2H3,(H,30,37)(H,31,35)(H,33,36).
What are the key properties of N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 513.60 g/mol, XLogP of 4.58, 7 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]-8-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 70225462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).