N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide

C19H28N4O2 — CID 117088957

IUPACN-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2cccc(C(=O)NC3CC3)n2)C1
InChIInChI=1S/C19H28N4O2/c1-3-22(4-2)19(25)14-7-6-12-23(13-14)17-9-5-8-16(21-17)18(24)20-15-10-11-15/h5,8-9,14-15H,3-4,6-7,10-13H2,1-2H3,(H,20,24)
InChIKeyRVVNZHFWSPAXQT-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.06
Rot. Bonds6

About N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide

N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 117088957) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
PubChem CID117088957
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2cccc(C(=O)NC3CC3)n2)C1
InChIInChI=1S/C19H28N4O2/c1-3-22(4-2)19(25)14-7-6-12-23(13-14)17-9-5-8-16(21-17)18(24)20-15-10-11-15/h5,8-9,14-15H,3-4,6-7,10-13H2,1-2H3,(H,20,24)
InChIKeyRVVNZHFWSPAXQT-UHFFFAOYSA-N
XLogP2.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide (CID 117088957) is N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide is CCN(CC)C(=O)C1CCCN(c2cccc(C(=O)NC3CC3)n2)C1.
What is the InChIKey of N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is RVVNZHFWSPAXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-22(4-2)19(25)14-7-6-12-23(13-14)17-9-5-8-16(21-17)18(24)20-15-10-11-15/h5,8-9,14-15H,3-4,6-7,10-13H2,1-2H3,(H,20,24).
What are the key properties of N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide?
N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 117088957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).