N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide

C22H27N5O — CID 74416032

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)C2CC(Cn3ccc4ccccc43)NN2)nc1
InChIInChI=1S/C22H27N5O/c1-3-16-8-9-18(23-13-16)14-26(2)22(28)20-12-19(24-25-20)15-27-11-10-17-6-4-5-7-21(17)27/h4-11,13,19-20,24-25H,3,12,14-15H2,1-2H3
InChIKeyMRAKOFHFYVFZSS-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.49
Rot. Bonds6

About N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide

N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide (PubChem CID 74416032) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide
PubChem CID74416032
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)C2CC(Cn3ccc4ccccc43)NN2)nc1
InChIInChI=1S/C22H27N5O/c1-3-16-8-9-18(23-13-16)14-26(2)22(28)20-12-19(24-25-20)15-27-11-10-17-6-4-5-7-21(17)27/h4-11,13,19-20,24-25H,3,12,14-15H2,1-2H3
InChIKeyMRAKOFHFYVFZSS-UHFFFAOYSA-N
XLogP2.49
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide (CID 74416032) is N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide is CCc1ccc(CN(C)C(=O)C2CC(Cn3ccc4ccccc43)NN2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide?
The InChIKey is MRAKOFHFYVFZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-16-8-9-18(23-13-16)14-26(2)22(28)20-12-19(24-25-20)15-27-11-10-17-6-4-5-7-21(17)27/h4-11,13,19-20,24-25H,3,12,14-15H2,1-2H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide?
N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 74416032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).