N-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide

C23H25FN4O2 — CID 59161070

IUPACN-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cccc(F)n2)(C4)C3)n1
InChIInChI=1S/C23H25FN4O2/c1-14-4-2-5-17(25-14)20(29)27-22-9-15-8-16(10-22)12-23(11-15,13-22)28-21(30)18-6-3-7-19(24)26-18/h2-7,15-16H,8-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyNTPQXBNMMYDNLB-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.18
Rot. Bonds4

About N-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide

N-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide (PubChem CID 59161070) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
PubChem CID59161070
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cccc(F)n2)(C4)C3)n1
InChIInChI=1S/C23H25FN4O2/c1-14-4-2-5-17(25-14)20(29)27-22-9-15-8-16(10-22)12-23(11-15,13-22)28-21(30)18-6-3-7-19(24)26-18/h2-7,15-16H,8-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyNTPQXBNMMYDNLB-UHFFFAOYSA-N
XLogP3.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide (CID 59161070) is N-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cccc(F)n2)(C4)C3)n1.
What is the InChIKey of N-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The InChIKey is NTPQXBNMMYDNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-14-4-2-5-17(25-14)20(29)27-22-9-15-8-16(10-22)12-23(11-15,13-22)28-21(30)18-6-3-7-19(24)26-18/h2-7,15-16H,8-13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide?
N-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-fluoropyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 59161070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).