N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide

C19H29N5O — CID 95630586

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
SMILESCc1cccc(NC[C@@H]2CCCN2CC(=O)N[C@@](C)(C#N)C(C)C)n1
InChIInChI=1S/C19H29N5O/c1-14(2)19(4,13-20)23-18(25)12-24-10-6-8-16(24)11-21-17-9-5-7-15(3)22-17/h5,7,9,14,16H,6,8,10-12H2,1-4H3,(H,21,22)(H,23,25)/t16-,19-/m0/s1
InChIKeyWZBXUYNGIZNXLP-LPHOPBHVSA-N
MW343.48 g/mol
LogP2.32
Rot. Bonds7

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide (PubChem CID 95630586) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
PubChem CID95630586
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
SMILESCc1cccc(NC[C@@H]2CCCN2CC(=O)N[C@@](C)(C#N)C(C)C)n1
InChIInChI=1S/C19H29N5O/c1-14(2)19(4,13-20)23-18(25)12-24-10-6-8-16(24)11-21-17-9-5-7-15(3)22-17/h5,7,9,14,16H,6,8,10-12H2,1-4H3,(H,21,22)(H,23,25)/t16-,19-/m0/s1
InChIKeyWZBXUYNGIZNXLP-LPHOPBHVSA-N
XLogP2.32
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide (CID 95630586) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide is Cc1cccc(NC[C@@H]2CCCN2CC(=O)N[C@@](C)(C#N)C(C)C)n1.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is WZBXUYNGIZNXLP-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H29N5O/c1-14(2)19(4,13-20)23-18(25)12-24-10-6-8-16(24)11-21-17-9-5-7-15(3)22-17/h5,7,9,14,16H,6,8,10-12H2,1-4H3,(H,21,22)(H,23,25)/t16-,19-/m0/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 343.48 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95630586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).