4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide

C19H21FN6O — CID 144712888

IUPAC4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide
SMILESN#CCC1(Nc2cc[nH]c(=O)c2/C(N)=N/c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C19H21FN6O/c20-13-1-3-14(4-2-13)25-17(22)16-15(5-10-24-18(16)27)26-19(6-9-21)7-11-23-12-8-19/h1-5,10,23H,6-8,11-12H2,(H2,22,25)(H2,24,26,27)
InChIKeyQQDANJXJNFKAQN-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.00
Rot. Bonds5

About 4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide

4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 144712888) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID144712888
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide
SMILESN#CCC1(Nc2cc[nH]c(=O)c2/C(N)=N/c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C19H21FN6O/c20-13-1-3-14(4-2-13)25-17(22)16-15(5-10-24-18(16)27)26-19(6-9-21)7-11-23-12-8-19/h1-5,10,23H,6-8,11-12H2,(H2,22,25)(H2,24,26,27)
InChIKeyQQDANJXJNFKAQN-UHFFFAOYSA-N
XLogP2.00
TPSA119.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide (CID 144712888) is 4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide is N#CCC1(Nc2cc[nH]c(=O)c2/C(N)=N/c2ccc(F)cc2)CCNCC1.
What is the InChIKey of 4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is QQDANJXJNFKAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c20-13-1-3-14(4-2-13)25-17(22)16-15(5-10-24-18(16)27)26-19(6-9-21)7-11-23-12-8-19/h1-5,10,23H,6-8,11-12H2,(H2,22,25)(H2,24,26,27).
What are the key properties of 4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide?
4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 368.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyanomethyl)piperidin-4-yl]amino]-N'-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 144712888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).