(3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide

C14H17FN6O — CID 129333410

IUPAC(3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccncc2F)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C14H17FN6O/c1-20-6-7-21(9-12(20)13-17-4-5-18-13)14(22)19-11-2-3-16-8-10(11)15/h2-5,8,12H,6-7,9H2,1H3,(H,17,18)(H,16,19,22)/t12-/m1/s1
InChIKeyMGBIHUCRDHEQFC-GFCCVEGCSA-N
MW304.33 g/mol
LogP1.46
Rot. Bonds2

About (3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide

(3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide (PubChem CID 129333410) has the molecular formula C14H17FN6O and a molecular weight of 304.33 g/mol. Its IUPAC name is (3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide
PubChem CID129333410
Molecular FormulaC14H17FN6O
Molecular Weight304.33 g/mol
Exact Mass304.14
IUPAC Name(3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccncc2F)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C14H17FN6O/c1-20-6-7-21(9-12(20)13-17-4-5-18-13)14(22)19-11-2-3-16-8-10(11)15/h2-5,8,12H,6-7,9H2,1H3,(H,17,18)(H,16,19,22)/t12-/m1/s1
InChIKeyMGBIHUCRDHEQFC-GFCCVEGCSA-N
XLogP1.46
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of (3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide (CID 129333410) is (3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccncc2F)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of (3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide?
The InChIKey is MGBIHUCRDHEQFC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17FN6O/c1-20-6-7-21(9-12(20)13-17-4-5-18-13)14(22)19-11-2-3-16-8-10(11)15/h2-5,8,12H,6-7,9H2,1H3,(H,17,18)(H,16,19,22)/t12-/m1/s1.
What are the key properties of (3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide?
(3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 129333410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).