2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide

C17H29N5O — CID 134574498

IUPAC2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(C)nc(N2CC(N)C2)c1
InChIInChI=1S/C17H29N5O/c1-5-21(6-2)13(4)9-19-17(23)14-7-12(3)20-16(8-14)22-10-15(18)11-22/h7-8,13,15H,5-6,9-11,18H2,1-4H3,(H,19,23)/t13-/m0/s1
InChIKeyVYHWXVYBTKUIHO-ZDUSSCGKSA-N
MW319.45 g/mol
LogP1.00
Rot. Bonds7

About 2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide

2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide (PubChem CID 134574498) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide
PubChem CID134574498
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(C)nc(N2CC(N)C2)c1
InChIInChI=1S/C17H29N5O/c1-5-21(6-2)13(4)9-19-17(23)14-7-12(3)20-16(8-14)22-10-15(18)11-22/h7-8,13,15H,5-6,9-11,18H2,1-4H3,(H,19,23)/t13-/m0/s1
InChIKeyVYHWXVYBTKUIHO-ZDUSSCGKSA-N
XLogP1.00
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide (CID 134574498) is 2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(C)nc(N2CC(N)C2)c1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide?
The InChIKey is VYHWXVYBTKUIHO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H29N5O/c1-5-21(6-2)13(4)9-19-17(23)14-7-12(3)20-16(8-14)22-10-15(18)11-22/h7-8,13,15H,5-6,9-11,18H2,1-4H3,(H,19,23)/t13-/m0/s1.
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide?
2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 134574498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).