cyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide

C26H35N5O — CID 144782191

IUPACcyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide
SMILESC1CCCC1.C=N/C=C(/c1ccc(-c2ccc3[nH]ccc3n2)cc1)N(C)C.CCC(N)=O
InChIInChI=1S/C18H18N4.C5H10.C3H7NO/c1-19-12-18(22(2)3)14-6-4-13(5-7-14)15-8-9-16-17(21-15)10-11-20-16;1-2-4-5-3-1;1-2-3(4)5/h4-12,20H,1H2,2-3H3;1-5H2;2H2,1H3,(H2,4,5)/b18-12-;;
InChIKeyQYDCDDNVJIFIRB-BRZJQQEKSA-N
MW433.60 g/mol
LogP5.62
Rot. Bonds5

About cyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide

cyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide (PubChem CID 144782191) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is cyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide.

Molecular Properties

Compound Namecyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide
PubChem CID144782191
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Namecyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide
SMILESC1CCCC1.C=N/C=C(/c1ccc(-c2ccc3[nH]ccc3n2)cc1)N(C)C.CCC(N)=O
InChIInChI=1S/C18H18N4.C5H10.C3H7NO/c1-19-12-18(22(2)3)14-6-4-13(5-7-14)15-8-9-16-17(21-15)10-11-20-16;1-2-4-5-3-1;1-2-3(4)5/h4-12,20H,1H2,2-3H3;1-5H2;2H2,1H3,(H2,4,5)/b18-12-;;
InChIKeyQYDCDDNVJIFIRB-BRZJQQEKSA-N
XLogP5.62
TPSA87.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide?
The IUPAC name of cyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide (CID 144782191) is cyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide.
What is the SMILES notation for cyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide?
The canonical SMILES for cyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide is C1CCCC1.C=N/C=C(/c1ccc(-c2ccc3[nH]ccc3n2)cc1)N(C)C.CCC(N)=O.
What is the InChIKey of cyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide?
The InChIKey is QYDCDDNVJIFIRB-BRZJQQEKSA-N. The full InChI is InChI=1S/C18H18N4.C5H10.C3H7NO/c1-19-12-18(22(2)3)14-6-4-13(5-7-14)15-8-9-16-17(21-15)10-11-20-16;1-2-4-5-3-1;1-2-3(4)5/h4-12,20H,1H2,2-3H3;1-5H2;2H2,1H3,(H2,4,5)/b18-12-;;.
What are the key properties of cyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide?
cyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide has a molecular weight of 433.60 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;(Z)-N,N-dimethyl-2-(methylideneamino)-1-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]ethenamine;propanamide is sourced from PubChem (CID 144782191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).