N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide

C23H23N5O2 — CID 123325435

IUPACN-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NNC(=O)c2cnccc2NC2(c3ccccc3)CC2)c1
InChIInChI=1S/C23H23N5O2/c1-16(29)25-18-8-5-9-19(14-18)27-28-22(30)20-15-24-13-10-21(20)26-23(11-12-23)17-6-3-2-4-7-17/h2-10,13-15,27H,11-12H2,1H3,(H,24,26)(H,25,29)(H,28,30)
InChIKeyDYWNWNSHEAMODC-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.90
Rot. Bonds7

About N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide

N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide (PubChem CID 123325435) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide
PubChem CID123325435
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NNC(=O)c2cnccc2NC2(c3ccccc3)CC2)c1
InChIInChI=1S/C23H23N5O2/c1-16(29)25-18-8-5-9-19(14-18)27-28-22(30)20-15-24-13-10-21(20)26-23(11-12-23)17-6-3-2-4-7-17/h2-10,13-15,27H,11-12H2,1H3,(H,24,26)(H,25,29)(H,28,30)
InChIKeyDYWNWNSHEAMODC-UHFFFAOYSA-N
XLogP3.90
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide (CID 123325435) is N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide is CC(=O)Nc1cccc(NNC(=O)c2cnccc2NC2(c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide?
The InChIKey is DYWNWNSHEAMODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16(29)25-18-8-5-9-19(14-18)27-28-22(30)20-15-24-13-10-21(20)26-23(11-12-23)17-6-3-2-4-7-17/h2-10,13-15,27H,11-12H2,1H3,(H,24,26)(H,25,29)(H,28,30).
What are the key properties of N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide?
N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide is sourced from PubChem (CID 123325435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).