2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide

C23H28N8O3 — CID 25022640

IUPAC2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccn1
InChIInChI=1S/C23H28N8O3/c1-23(2,25)22(32)27-19(16-33-14-17-8-4-3-5-9-17)21-28-29-30-31(21)18(11-12-24)15-34-20-10-6-7-13-26-20/h3-10,13,18-19H,11,14-16,25H2,1-2H3,(H,27,32)/t18-,19-/m1/s1
InChIKeyUPJVOWNSAUCCBH-RTBURBONSA-N
MW464.53 g/mol
LogP1.71
Rot. Bonds12

About 2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide

2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide (PubChem CID 25022640) has the molecular formula C23H28N8O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
PubChem CID25022640
Molecular FormulaC23H28N8O3
Molecular Weight464.53 g/mol
Exact Mass464.23
IUPAC Name2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccn1
InChIInChI=1S/C23H28N8O3/c1-23(2,25)22(32)27-19(16-33-14-17-8-4-3-5-9-17)21-28-29-30-31(21)18(11-12-24)15-34-20-10-6-7-13-26-20/h3-10,13,18-19H,11,14-16,25H2,1-2H3,(H,27,32)/t18-,19-/m1/s1
InChIKeyUPJVOWNSAUCCBH-RTBURBONSA-N
XLogP1.71
TPSA153.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide (CID 25022640) is 2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccn1.
What is the InChIKey of 2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide?
The InChIKey is UPJVOWNSAUCCBH-RTBURBONSA-N. The full InChI is InChI=1S/C23H28N8O3/c1-23(2,25)22(32)27-19(16-33-14-17-8-4-3-5-9-17)21-28-29-30-31(21)18(11-12-24)15-34-20-10-6-7-13-26-20/h3-10,13,18-19H,11,14-16,25H2,1-2H3,(H,27,32)/t18-,19-/m1/s1.
What are the key properties of 2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide?
2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide has a molecular weight of 464.53 g/mol, XLogP of 1.71, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide is sourced from PubChem (CID 25022640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).