N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide

C29H34N4O5 — CID 58505373

IUPACN-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(-c3ccc(C(=O)N[C@H](C(=O)NC[C@@H](C)O)C4CCCCC4)o3)cc2)n1
InChIInChI=1S/C29H34N4O5/c1-18-7-6-10-23(31-18)27(35)32-22-13-11-20(12-14-22)24-15-16-25(38-24)28(36)33-26(21-8-4-3-5-9-21)29(37)30-17-19(2)34/h6-7,10-16,19,21,26,34H,3-5,8-9,17H2,1-2H3,(H,30,37)(H,32,35)(H,33,36)/t19-,26+/m1/s1
InChIKeyLGURMLSMAVGCFO-BCHFMIIMSA-N
MW518.61 g/mol
LogP4.08
Rot. Bonds9

About N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide

N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide (PubChem CID 58505373) has the molecular formula C29H34N4O5 and a molecular weight of 518.61 g/mol. Its IUPAC name is N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide
PubChem CID58505373
Molecular FormulaC29H34N4O5
Molecular Weight518.61 g/mol
Exact Mass518.25
IUPAC NameN-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(-c3ccc(C(=O)N[C@H](C(=O)NC[C@@H](C)O)C4CCCCC4)o3)cc2)n1
InChIInChI=1S/C29H34N4O5/c1-18-7-6-10-23(31-18)27(35)32-22-13-11-20(12-14-22)24-15-16-25(38-24)28(36)33-26(21-8-4-3-5-9-21)29(37)30-17-19(2)34/h6-7,10-16,19,21,26,34H,3-5,8-9,17H2,1-2H3,(H,30,37)(H,32,35)(H,33,36)/t19-,26+/m1/s1
InChIKeyLGURMLSMAVGCFO-BCHFMIIMSA-N
XLogP4.08
TPSA133.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.61
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide (CID 58505373) is N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2ccc(-c3ccc(C(=O)N[C@H](C(=O)NC[C@@H](C)O)C4CCCCC4)o3)cc2)n1.
What is the InChIKey of N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide?
The InChIKey is LGURMLSMAVGCFO-BCHFMIIMSA-N. The full InChI is InChI=1S/C29H34N4O5/c1-18-7-6-10-23(31-18)27(35)32-22-13-11-20(12-14-22)24-15-16-25(38-24)28(36)33-26(21-8-4-3-5-9-21)29(37)30-17-19(2)34/h6-7,10-16,19,21,26,34H,3-5,8-9,17H2,1-2H3,(H,30,37)(H,32,35)(H,33,36)/t19-,26+/m1/s1.
What are the key properties of N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide?
N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide has a molecular weight of 518.61 g/mol, XLogP of 4.08, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 58505373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).