5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide

C18H29N5O — CID 75257646

IUPAC5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide
SMILESCCCC1CC(C(=O)NCC(c2cccnc2)N2CCCC2)NN1
InChIInChI=1S/C18H29N5O/c1-2-6-15-11-16(22-21-15)18(24)20-13-17(23-9-3-4-10-23)14-7-5-8-19-12-14/h5,7-8,12,15-17,21-22H,2-4,6,9-11,13H2,1H3,(H,20,24)
InChIKeyJCTWNBBFVSNEQV-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.37
Rot. Bonds7

About 5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide

5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide (PubChem CID 75257646) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide
PubChem CID75257646
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide
SMILESCCCC1CC(C(=O)NCC(c2cccnc2)N2CCCC2)NN1
InChIInChI=1S/C18H29N5O/c1-2-6-15-11-16(22-21-15)18(24)20-13-17(23-9-3-4-10-23)14-7-5-8-19-12-14/h5,7-8,12,15-17,21-22H,2-4,6,9-11,13H2,1H3,(H,20,24)
InChIKeyJCTWNBBFVSNEQV-UHFFFAOYSA-N
XLogP1.37
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166207360
3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
CID 97237164
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166227053
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166229779
1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea
CID 125169528
4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 74234117
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97145393
N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72916413
2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
CID 131907416
2-ethyl-4-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 74246411

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide (CID 75257646) is 5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide is CCCC1CC(C(=O)NCC(c2cccnc2)N2CCCC2)NN1.
What is the InChIKey of 5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide?
The InChIKey is JCTWNBBFVSNEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-2-6-15-11-16(22-21-15)18(24)20-13-17(23-9-3-4-10-23)14-7-5-8-19-12-14/h5,7-8,12,15-17,21-22H,2-4,6,9-11,13H2,1H3,(H,20,24).
What are the key properties of 5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide?
5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75257646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).