N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

C20H26N6O2 — CID 122191617

IUPACN,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
SMILESCNc1nc2c(cc(C(=O)N(C3CC3)C3CC3)n2C[C@@H](C)O)c2c1ncn2C
InChIInChI=1S/C20H26N6O2/c1-11(27)9-25-15(20(28)26(12-4-5-12)13-6-7-13)8-14-17-16(22-10-24(17)3)18(21-2)23-19(14)25/h8,10-13,27H,4-7,9H2,1-3H3,(H,21,23)/t11-/m1/s1
InChIKeyFHXDCNAPXQOKIN-LLVKDONJSA-N
MW382.47 g/mol
LogP2.11
Rot. Bonds6

About N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (PubChem CID 122191617) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide.

Molecular Properties

Compound NameN,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
PubChem CID122191617
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
SMILESCNc1nc2c(cc(C(=O)N(C3CC3)C3CC3)n2C[C@@H](C)O)c2c1ncn2C
InChIInChI=1S/C20H26N6O2/c1-11(27)9-25-15(20(28)26(12-4-5-12)13-6-7-13)8-14-17-16(22-10-24(17)3)18(21-2)23-19(14)25/h8,10-13,27H,4-7,9H2,1-3H3,(H,21,23)/t11-/m1/s1
InChIKeyFHXDCNAPXQOKIN-LLVKDONJSA-N
XLogP2.11
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The IUPAC name of N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (CID 122191617) is N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide.
What is the SMILES notation for N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The canonical SMILES for N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is CNc1nc2c(cc(C(=O)N(C3CC3)C3CC3)n2C[C@@H](C)O)c2c1ncn2C.
What is the InChIKey of N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The InChIKey is FHXDCNAPXQOKIN-LLVKDONJSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-11(27)9-25-15(20(28)26(12-4-5-12)13-6-7-13)8-14-17-16(22-10-24(17)3)18(21-2)23-19(14)25/h8,10-13,27H,4-7,9H2,1-3H3,(H,21,23)/t11-/m1/s1.
What are the key properties of N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclopropyl-10-[(2R)-2-hydroxypropyl]-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is sourced from PubChem (CID 122191617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).