N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide

C18H29N5O2 — CID 5066330

IUPACN-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)NCCN1CCCCC1)C(=O)c1cnccn1
InChIInChI=1S/C18H29N5O2/c1-2-10-23(18(25)16-15-19-7-8-20-16)13-6-17(24)21-9-14-22-11-4-3-5-12-22/h7-8,15H,2-6,9-14H2,1H3,(H,21,24)
InChIKeyNPALNUCQNWKEEU-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.32
Rot. Bonds9

About N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide

N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide (PubChem CID 5066330) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide
PubChem CID5066330
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)NCCN1CCCCC1)C(=O)c1cnccn1
InChIInChI=1S/C18H29N5O2/c1-2-10-23(18(25)16-15-19-7-8-20-16)13-6-17(24)21-9-14-22-11-4-3-5-12-22/h7-8,15H,2-6,9-14H2,1H3,(H,21,24)
InChIKeyNPALNUCQNWKEEU-UHFFFAOYSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 4068337
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 4064538
N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 4160923
N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783431
5-methyl-N-(2-methylpropyl)-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3363056
N-[3-(diethylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 3621846
N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
N-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783353
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7249269
N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7264899
N-benzyl-N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 7495019

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide (CID 5066330) is N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide is CCCN(CCC(=O)NCCN1CCCCC1)C(=O)c1cnccn1.
What is the InChIKey of N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide?
The InChIKey is NPALNUCQNWKEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-2-10-23(18(25)16-15-19-7-8-20-16)13-6-17(24)21-9-14-22-11-4-3-5-12-22/h7-8,15H,2-6,9-14H2,1H3,(H,21,24).
What are the key properties of N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide?
N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 5066330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).