N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide

C21H20N6O2 — CID 97410713

IUPACN-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccn(-c2ccc3ccc(-c4cccnc4)cn23)n1
InChIInChI=1S/C21H20N6O2/c1-25(2)20(28)13-23-21(29)18-9-11-27(24-18)19-8-7-17-6-5-16(14-26(17)19)15-4-3-10-22-12-15/h3-12,14H,13H2,1-2H3,(H,23,29)
InChIKeyKFUIMTVHANMFRE-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide (PubChem CID 97410713) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
PubChem CID97410713
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccn(-c2ccc3ccc(-c4cccnc4)cn23)n1
InChIInChI=1S/C21H20N6O2/c1-25(2)20(28)13-23-21(29)18-9-11-27(24-18)19-8-7-17-6-5-16(14-26(17)19)15-4-3-10-22-12-15/h3-12,14H,13H2,1-2H3,(H,23,29)
InChIKeyKFUIMTVHANMFRE-UHFFFAOYSA-N
XLogP2.01
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447325
1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447454
N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447361
N-propyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447362
N-[3-(dimethylamino)propyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362124
1-[6-(3-fluorophenyl)indolizin-3-yl]-N-pyridin-3-ylpyrazole-3-carboxamide
CID 97447411
N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362092
1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 97447388
N-(6-methyl-3-pyridinyl)-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362114
N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362117
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
CID 97447409

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide (CID 97410713) is N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide is CN(C)C(=O)CNC(=O)c1ccn(-c2ccc3ccc(-c4cccnc4)cn23)n1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide?
The InChIKey is KFUIMTVHANMFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-25(2)20(28)13-23-21(29)18-9-11-27(24-18)19-8-7-17-6-5-16(14-26(17)19)15-4-3-10-22-12-15/h3-12,14H,13H2,1-2H3,(H,23,29).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 97410713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).