(10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide

C25H29N3O2 — CID 118200195

IUPAC(10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide
SMILESCc1ccc2c(c1)[C@]13CCN(CC4CC4)CC1(C2)Cc1cc(C(N)=O)c(=O)[nH]c1C3
InChIInChI=1S/C25H29N3O2/c1-15-2-5-17-10-24-11-18-9-19(22(26)29)23(30)27-21(18)12-25(24,20(17)8-15)6-7-28(14-24)13-16-3-4-16/h2,5,8-9,16H,3-4,6-7,10-14H2,1H3,(H2,26,29)(H,27,30)/t24?,25-/m1/s1
InChIKeyQKCUPIWQAZAVCD-WUBHUQEYSA-N
MW403.53 g/mol
LogP2.48
Rot. Bonds3

About (10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide

(10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide (PubChem CID 118200195) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is (10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide.

Molecular Properties

Compound Name(10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide
PubChem CID118200195
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name(10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide
SMILESCc1ccc2c(c1)[C@]13CCN(CC4CC4)CC1(C2)Cc1cc(C(N)=O)c(=O)[nH]c1C3
InChIInChI=1S/C25H29N3O2/c1-15-2-5-17-10-24-11-18-9-19(22(26)29)23(30)27-21(18)12-25(24,20(17)8-15)6-7-28(14-24)13-16-3-4-16/h2,5,8-9,16H,3-4,6-7,10-14H2,1H3,(H2,26,29)(H,27,30)/t24?,25-/m1/s1
InChIKeyQKCUPIWQAZAVCD-WUBHUQEYSA-N
XLogP2.48
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide?
The IUPAC name of (10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide (CID 118200195) is (10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide.
What is the SMILES notation for (10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide?
The canonical SMILES for (10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide is Cc1ccc2c(c1)[C@]13CCN(CC4CC4)CC1(C2)Cc1cc(C(N)=O)c(=O)[nH]c1C3.
What is the InChIKey of (10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide?
The InChIKey is QKCUPIWQAZAVCD-WUBHUQEYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-15-2-5-17-10-24-11-18-9-19(22(26)29)23(30)27-21(18)12-25(24,20(17)8-15)6-7-28(14-24)13-16-3-4-16/h2,5,8-9,16H,3-4,6-7,10-14H2,1H3,(H2,26,29)(H,27,30)/t24?,25-/m1/s1.
What are the key properties of (10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide?
(10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-19-(cyclopropylmethyl)-13-methyl-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide is sourced from PubChem (CID 118200195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).