N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C20H23N5O3 — CID 47035426

IUPACN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)c3cc(-c4ccco4)[nH]n3)cn2)CC(C)O1
InChIInChI=1S/C20H23N5O3/c1-13-11-25(12-14(2)28-13)19-6-5-15(9-21-19)10-22-20(26)17-8-16(23-24-17)18-4-3-7-27-18/h3-9,13-14H,10-12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyOZJNRTCDUXHQQX-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.61
Rot. Bonds5

About N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 47035426) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID47035426
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)c3cc(-c4ccco4)[nH]n3)cn2)CC(C)O1
InChIInChI=1S/C20H23N5O3/c1-13-11-25(12-14(2)28-13)19-6-5-15(9-21-19)10-22-20(26)17-8-16(23-24-17)18-4-3-7-27-18/h3-9,13-14H,10-12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyOZJNRTCDUXHQQX-UHFFFAOYSA-N
XLogP2.61
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 47035426) is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is CC1CN(c2ccc(CNC(=O)c3cc(-c4ccco4)[nH]n3)cn2)CC(C)O1.
What is the InChIKey of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is OZJNRTCDUXHQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-11-25(12-14(2)28-13)19-6-5-15(9-21-19)10-22-20(26)17-8-16(23-24-17)18-4-3-7-27-18/h3-9,13-14H,10-12H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47035426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).