N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide

C18H19N5O — CID 134086275

IUPACN-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
SMILESCn1ccc2c(NC(=O)C3CC(c4cccnc4)NN3)cccc21
InChIInChI=1S/C18H19N5O/c1-23-9-7-13-14(5-2-6-17(13)23)20-18(24)16-10-15(21-22-16)12-4-3-8-19-11-12/h2-9,11,15-16,21-22H,10H2,1H3,(H,20,24)
InChIKeyYZRDTAHRSNJKJR-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.12
Rot. Bonds3

About N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide

N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide (PubChem CID 134086275) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
PubChem CID134086275
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
SMILESCn1ccc2c(NC(=O)C3CC(c4cccnc4)NN3)cccc21
InChIInChI=1S/C18H19N5O/c1-23-9-7-13-14(5-2-6-17(13)23)20-18(24)16-10-15(21-22-16)12-4-3-8-19-11-12/h2-9,11,15-16,21-22H,10H2,1H3,(H,20,24)
InChIKeyYZRDTAHRSNJKJR-UHFFFAOYSA-N
XLogP2.12
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide (CID 134086275) is N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide is Cn1ccc2c(NC(=O)C3CC(c4cccnc4)NN3)cccc21.
What is the InChIKey of N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide?
The InChIKey is YZRDTAHRSNJKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-23-9-7-13-14(5-2-6-17(13)23)20-18(24)16-10-15(21-22-16)12-4-3-8-19-11-12/h2-9,11,15-16,21-22H,10H2,1H3,(H,20,24).
What are the key properties of N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide?
N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134086275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).