N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C16H22N6O — CID 50983046

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCc1nn(C)cc1NC(=O)CN1CC=C(c2cnn(C)c2)CC1
InChIInChI=1S/C16H22N6O/c1-12-15(10-21(3)19-12)18-16(23)11-22-6-4-13(5-7-22)14-8-17-20(2)9-14/h4,8-10H,5-7,11H2,1-3H3,(H,18,23)
InChIKeyAEDNRLIVDPHDBC-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.19
Rot. Bonds4

About N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 50983046) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID50983046
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCc1nn(C)cc1NC(=O)CN1CC=C(c2cnn(C)c2)CC1
InChIInChI=1S/C16H22N6O/c1-12-15(10-21(3)19-12)18-16(23)11-22-6-4-13(5-7-22)14-8-17-20(2)9-14/h4,8-10H,5-7,11H2,1-3H3,(H,18,23)
InChIKeyAEDNRLIVDPHDBC-UHFFFAOYSA-N
XLogP1.19
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 50983046) is N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is Cc1nn(C)cc1NC(=O)CN1CC=C(c2cnn(C)c2)CC1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is AEDNRLIVDPHDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-15(10-21(3)19-12)18-16(23)11-22-6-4-13(5-7-22)14-8-17-20(2)9-14/h4,8-10H,5-7,11H2,1-3H3,(H,18,23).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 50983046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).