(1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide

C24H25N3O4 — CID 163861847

IUPAC(1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)C[C@@]13CC4(CN(CC5CC5)[C@H]4[C@]1(O)C2)c1ccc(O)cc13
InChIInChI=1S/C24H25N3O4/c25-19(29)15-5-13-7-24(31)21-22(11-27(21)9-12-1-2-12)10-23(24,8-18(13)26-20(15)30)17-6-14(28)3-4-16(17)22/h3-6,12,21,28,31H,1-2,7-11H2,(H2,25,29)(H,26,30)/t21-,22?,23+,24-/m1/s1
InChIKeyPDFQAHCGTUCFRL-RVOLFNBQSA-N
MW419.48 g/mol
LogP0.70
Rot. Bonds3

About (1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide

(1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide (PubChem CID 163861847) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is (1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide.

Molecular Properties

Compound Name(1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide
PubChem CID163861847
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name(1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)C[C@@]13CC4(CN(CC5CC5)[C@H]4[C@]1(O)C2)c1ccc(O)cc13
InChIInChI=1S/C24H25N3O4/c25-19(29)15-5-13-7-24(31)21-22(11-27(21)9-12-1-2-12)10-23(24,8-18(13)26-20(15)30)17-6-14(28)3-4-16(17)22/h3-6,12,21,28,31H,1-2,7-11H2,(H2,25,29)(H,26,30)/t21-,22?,23+,24-/m1/s1
InChIKeyPDFQAHCGTUCFRL-RVOLFNBQSA-N
XLogP0.70
TPSA119.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide?
The IUPAC name of (1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide (CID 163861847) is (1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide.
What is the SMILES notation for (1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide?
The canonical SMILES for (1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide is NC(=O)c1cc2c([nH]c1=O)C[C@@]13CC4(CN(CC5CC5)[C@H]4[C@]1(O)C2)c1ccc(O)cc13.
What is the InChIKey of (1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide?
The InChIKey is PDFQAHCGTUCFRL-RVOLFNBQSA-N. The full InChI is InChI=1S/C24H25N3O4/c25-19(29)15-5-13-7-24(31)21-22(11-27(21)9-12-1-2-12)10-23(24,8-18(13)26-20(15)30)17-6-14(28)3-4-16(17)22/h3-6,12,21,28,31H,1-2,7-11H2,(H2,25,29)(H,26,30)/t21-,22?,23+,24-/m1/s1.
What are the key properties of (1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide?
(1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 0.70, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S,11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide is sourced from PubChem (CID 163861847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).