N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide

C26H30N6O2 — CID 166718893

IUPACN-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide
SMILESC=C(/C=N\N(C)Cc1ccc(CN2C[C@@H]3C[C@@H]3C2=O)cc1)C(=O)NC1CCc2c1ccnc2N
InChIInChI=1S/C26H30N6O2/c1-16(25(33)30-23-8-7-21-20(23)9-10-28-24(21)27)12-29-31(2)13-17-3-5-18(6-4-17)14-32-15-19-11-22(19)26(32)34/h3-6,9-10,12,19,22-23H,1,7-8,11,13-15H2,2H3,(H2,27,28)(H,30,33)/b29-12-/t19-,22-,23?/m0/s1
InChIKeyRFSOHGPMPZNDKG-HCCAOOSWSA-N
MW458.57 g/mol
LogP2.42
Rot. Bonds8

About N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide

N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide (PubChem CID 166718893) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide
PubChem CID166718893
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC NameN-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide
SMILESC=C(/C=N\N(C)Cc1ccc(CN2C[C@@H]3C[C@@H]3C2=O)cc1)C(=O)NC1CCc2c1ccnc2N
InChIInChI=1S/C26H30N6O2/c1-16(25(33)30-23-8-7-21-20(23)9-10-28-24(21)27)12-29-31(2)13-17-3-5-18(6-4-17)14-32-15-19-11-22(19)26(32)34/h3-6,9-10,12,19,22-23H,1,7-8,11,13-15H2,2H3,(H2,27,28)(H,30,33)/b29-12-/t19-,22-,23?/m0/s1
InChIKeyRFSOHGPMPZNDKG-HCCAOOSWSA-N
XLogP2.42
TPSA103.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide with MolForge

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Related Compounds

CID 129097391
CID 129097391
CID 166595555
CID 166595555
CID 166595898
CID 166595898
CID 166596421
CID 166596421
CID 129098653
CID 129098653
CID 129096222
CID 129096222
CID 129097154
CID 129097154
CID 129097157
CID 129097157
CID 129097183
CID 129097183
CID 129097184
CID 129097184
CID 129097189
CID 129097189
CID 129097191
CID 129097191

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide?
The IUPAC name of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide (CID 166718893) is N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide.
What is the SMILES notation for N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide?
The canonical SMILES for N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide is C=C(/C=N\N(C)Cc1ccc(CN2C[C@@H]3C[C@@H]3C2=O)cc1)C(=O)NC1CCc2c1ccnc2N.
What is the InChIKey of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide?
The InChIKey is RFSOHGPMPZNDKG-HCCAOOSWSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-16(25(33)30-23-8-7-21-20(23)9-10-28-24(21)27)12-29-31(2)13-17-3-5-18(6-4-17)14-32-15-19-11-22(19)26(32)34/h3-6,9-10,12,19,22-23H,1,7-8,11,13-15H2,2H3,(H2,27,28)(H,30,33)/b29-12-/t19-,22-,23?/m0/s1.
What are the key properties of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide?
N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide has a molecular weight of 458.57 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-2-[(Z)-[methyl-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]hydrazinylidene]methyl]prop-2-enamide is sourced from PubChem (CID 166718893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).