N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C21H27N3O3 — CID 3237419

IUPACN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1ccccn1
InChIInChI=1S/C21H27N3O3/c1-3-21(2,20(26)23-16-9-4-5-10-16)24(15-17-11-8-14-27-17)19(25)18-12-6-7-13-22-18/h6-8,11-14,16H,3-5,9-10,15H2,1-2H3,(H,23,26)
InChIKeySTVJEGYUPGYYID-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.54
Rot. Bonds7

About N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 3237419) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID3237419
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC NameN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1ccccn1
InChIInChI=1S/C21H27N3O3/c1-3-21(2,20(26)23-16-9-4-5-10-16)24(15-17-11-8-14-27-17)19(25)18-12-6-7-13-22-18/h6-8,11-14,16H,3-5,9-10,15H2,1-2H3,(H,23,26)
InChIKeySTVJEGYUPGYYID-UHFFFAOYSA-N
XLogP3.54
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 3237419) is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is CCC(C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1ccccn1.
What is the InChIKey of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is STVJEGYUPGYYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-21(2,20(26)23-16-9-4-5-10-16)24(15-17-11-8-14-27-17)19(25)18-12-6-7-13-22-18/h6-8,11-14,16H,3-5,9-10,15H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 3237419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).