N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide

C21H18F2N4O2 — CID 59399453

IUPACN-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide
SMILESCC(=O)NC(=O)c1cccc(C(C)(C)c2cccc(-c3ccc(F)nc3F)n2)n1
InChIInChI=1S/C21H18F2N4O2/c1-12(28)24-20(29)15-7-5-9-17(26-15)21(2,3)16-8-4-6-14(25-16)13-10-11-18(22)27-19(13)23/h4-11H,1-3H3,(H,24,28,29)
InChIKeyJPTPNIHVRHWDCE-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.42
Rot. Bonds4

About N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide

N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide (PubChem CID 59399453) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide
PubChem CID59399453
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide
SMILESCC(=O)NC(=O)c1cccc(C(C)(C)c2cccc(-c3ccc(F)nc3F)n2)n1
InChIInChI=1S/C21H18F2N4O2/c1-12(28)24-20(29)15-7-5-9-17(26-15)21(2,3)16-8-4-6-14(25-16)13-10-11-18(22)27-19(13)23/h4-11H,1-3H3,(H,24,28,29)
InChIKeyJPTPNIHVRHWDCE-UHFFFAOYSA-N
XLogP3.42
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide
CID 44602524
5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpicolinamide
CID 51356962
(3R)-3-amino-1-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70695076
N2,N6-Bis(2-methylphenyl)-2,6-pyridinedicarboxamide
CID 766586
N~2~,N~6~-bis(3-methylphenyl)-2,6-pyridinedicarboxamide
CID 790215
N-[4-[(3R,4S,5S)-4-acetamido-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 72548437
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118522079
(3R)-3-amino-1-[4-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70690893
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 71087365
6-(3-fluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-2-carboxamide
CID 71087622
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide
CID 71087830

Frequently Asked Questions

What is the IUPAC name of N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide (CID 59399453) is N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide is CC(=O)NC(=O)c1cccc(C(C)(C)c2cccc(-c3ccc(F)nc3F)n2)n1.
What is the InChIKey of N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide?
The InChIKey is JPTPNIHVRHWDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2/c1-12(28)24-20(29)15-7-5-9-17(26-15)21(2,3)16-8-4-6-14(25-16)13-10-11-18(22)27-19(13)23/h4-11H,1-3H3,(H,24,28,29).
What are the key properties of N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide?
N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 59399453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).