N'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C21H30N4O3 — CID 651517

IUPACN'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1
InChIInChI=1S/C21H30N4O3/c26-19(24-18-11-5-6-14-22-18)12-13-21(28)25(17-9-3-4-10-17)15-20(27)23-16-7-1-2-8-16/h5-6,11,14,16-17H,1-4,7-10,12-13,15H2,(H,23,27)(H,22,24,26)
InChIKeyRMWPNBFRXLQGHF-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.63
Rot. Bonds8

About N'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 651517) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID651517
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1
InChIInChI=1S/C21H30N4O3/c26-19(24-18-11-5-6-14-22-18)12-13-21(28)25(17-9-3-4-10-17)15-20(27)23-16-7-1-2-8-16/h5-6,11,14,16-17H,1-4,7-10,12-13,15H2,(H,23,27)(H,22,24,26)
InChIKeyRMWPNBFRXLQGHF-UHFFFAOYSA-N
XLogP2.63
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 651517) is N'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is O=C(CCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1.
What is the InChIKey of N'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is RMWPNBFRXLQGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c26-19(24-18-11-5-6-14-22-18)12-13-21(28)25(17-9-3-4-10-17)15-20(27)23-16-7-1-2-8-16/h5-6,11,14,16-17H,1-4,7-10,12-13,15H2,(H,23,27)(H,22,24,26).
What are the key properties of N'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 386.50 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 651517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).