N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide

C22H25N3O2 — CID 95147228

IUPACN-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide
SMILESCc1c(NCc2ccccn2)cccc1C(=O)N[C@@H](C)CCc1ccco1
InChIInChI=1S/C22H25N3O2/c1-16(11-12-19-8-6-14-27-19)25-22(26)20-9-5-10-21(17(20)2)24-15-18-7-3-4-13-23-18/h3-10,13-14,16,24H,11-12,15H2,1-2H3,(H,25,26)/t16-/m0/s1
InChIKeyLLRSQFBOSXGQEB-INIZCTEOSA-N
MW363.46 g/mol
LogP4.35
Rot. Bonds8

About N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide

N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide (PubChem CID 95147228) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide
PubChem CID95147228
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide
SMILESCc1c(NCc2ccccn2)cccc1C(=O)N[C@@H](C)CCc1ccco1
InChIInChI=1S/C22H25N3O2/c1-16(11-12-19-8-6-14-27-19)25-22(26)20-9-5-10-21(17(20)2)24-15-18-7-3-4-13-23-18/h3-10,13-14,16,24H,11-12,15H2,1-2H3,(H,25,26)/t16-/m0/s1
InChIKeyLLRSQFBOSXGQEB-INIZCTEOSA-N
XLogP4.35
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide?
The IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide (CID 95147228) is N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide.
What is the SMILES notation for N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide?
The canonical SMILES for N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide is Cc1c(NCc2ccccn2)cccc1C(=O)N[C@@H](C)CCc1ccco1.
What is the InChIKey of N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide?
The InChIKey is LLRSQFBOSXGQEB-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16(11-12-19-8-6-14-27-19)25-22(26)20-9-5-10-21(17(20)2)24-15-18-7-3-4-13-23-18/h3-10,13-14,16,24H,11-12,15H2,1-2H3,(H,25,26)/t16-/m0/s1.
What are the key properties of N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide?
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide is sourced from PubChem (CID 95147228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).