N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide

C15H21FN4O2 — CID 154799696

IUPACN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2CC(N)=O)n1
InChIInChI=1S/C15H21FN4O2/c1-10-4-3-5-13(18-10)15(22)19(2)8-12-6-11(16)7-20(12)9-14(17)21/h3-5,11-12H,6-9H2,1-2H3,(H2,17,21)/t11-,12-/m0/s1
InChIKeyWOVNFARSDKSHNO-RYUDHWBXSA-N
MW308.36 g/mol
LogP0.36
Rot. Bonds5

About N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide

N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 154799696) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID154799696
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2CC(N)=O)n1
InChIInChI=1S/C15H21FN4O2/c1-10-4-3-5-13(18-10)15(22)19(2)8-12-6-11(16)7-20(12)9-14(17)21/h3-5,11-12H,6-9H2,1-2H3,(H2,17,21)/t11-,12-/m0/s1
InChIKeyWOVNFARSDKSHNO-RYUDHWBXSA-N
XLogP0.36
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide (CID 154799696) is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide is Cc1cccc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2CC(N)=O)n1.
What is the InChIKey of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is WOVNFARSDKSHNO-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-10-4-3-5-13(18-10)15(22)19(2)8-12-6-11(16)7-20(12)9-14(17)21/h3-5,11-12H,6-9H2,1-2H3,(H2,17,21)/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide?
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 154799696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).