N-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide

C18H28N4O3 — CID 132971762

IUPACN-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
SMILESCCC(C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)c1ncccc1OC
InChIInChI=1S/C18H28N4O3/c1-5-13(2)15(20-18(24)22-11-6-7-12-22)17(23)21(3)16-14(25-4)9-8-10-19-16/h8-10,13,15H,5-7,11-12H2,1-4H3,(H,20,24)/t13?,15-/m0/s1
InChIKeySUDWBGAHVYVOLF-WUJWULDRSA-N
MW348.45 g/mol
LogP2.27
Rot. Bonds6

About N-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide

N-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 132971762) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
PubChem CID132971762
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
SMILESCCC(C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)c1ncccc1OC
InChIInChI=1S/C18H28N4O3/c1-5-13(2)15(20-18(24)22-11-6-7-12-22)17(23)21(3)16-14(25-4)9-8-10-19-16/h8-10,13,15H,5-7,11-12H2,1-4H3,(H,20,24)/t13?,15-/m0/s1
InChIKeySUDWBGAHVYVOLF-WUJWULDRSA-N
XLogP2.27
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide (CID 132971762) is N-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide is CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)c1ncccc1OC.
What is the InChIKey of N-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is SUDWBGAHVYVOLF-WUJWULDRSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-5-13(2)15(20-18(24)22-11-6-7-12-22)17(23)21(3)16-14(25-4)9-8-10-19-16/h8-10,13,15H,5-7,11-12H2,1-4H3,(H,20,24)/t13?,15-/m0/s1.
What are the key properties of N-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
N-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3-methoxy-2-pyridinyl)-methylamino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 132971762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).