N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide

C23H30N4O — CID 54597080

IUPACN-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide
SMILESCc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C23H30N4O/c1-17-7-6-13-27(17)20-12-14-26(16-20)22-11-10-21(18(2)24-22)25-23(28)15-19-8-4-3-5-9-19/h3-5,8-11,17,20H,6-7,12-16H2,1-2H3,(H,25,28)/t17-,20-/m0/s1
InChIKeyZVRLMFUFFXGESN-PXNSSMCTSA-N
MW378.52 g/mol
LogP3.63
Rot. Bonds5

About N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide

N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 54597080) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide
PubChem CID54597080
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide
SMILESCc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C23H30N4O/c1-17-7-6-13-27(17)20-12-14-26(16-20)22-11-10-21(18(2)24-22)25-23(28)15-19-8-4-3-5-9-19/h3-5,8-11,17,20H,6-7,12-16H2,1-2H3,(H,25,28)/t17-,20-/m0/s1
InChIKeyZVRLMFUFFXGESN-PXNSSMCTSA-N
XLogP3.63
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide (CID 54597080) is N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide is Cc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is ZVRLMFUFFXGESN-PXNSSMCTSA-N. The full InChI is InChI=1S/C23H30N4O/c1-17-7-6-13-27(17)20-12-14-26(16-20)22-11-10-21(18(2)24-22)25-23(28)15-19-8-4-3-5-9-19/h3-5,8-11,17,20H,6-7,12-16H2,1-2H3,(H,25,28)/t17-,20-/m0/s1.
What are the key properties of N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide?
N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 378.52 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 54597080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).