2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide

C33H31N3O4 — CID 71614579

IUPAC2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide
SMILESO=C(N[C@H](CO)Cc1cccc2ccccc12)c1cccc(C(=O)N[C@H](CO)Cc2cccc3ccccc23)n1
InChIInChI=1S/C33H31N3O4/c37-20-26(18-24-12-5-10-22-8-1-3-14-28(22)24)34-32(39)30-16-7-17-31(36-30)33(40)35-27(21-38)19-25-13-6-11-23-9-2-4-15-29(23)25/h1-17,26-27,37-38H,18-21H2,(H,34,39)(H,35,40)/t26-,27-/m0/s1
InChIKeyGROJXOXEVHFAHT-SVBPBHIXSA-N
MW533.63 g/mol
LogP4.05
Rot. Bonds10

About 2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide (PubChem CID 71614579) has the molecular formula C33H31N3O4 and a molecular weight of 533.63 g/mol. Its IUPAC name is 2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide
PubChem CID71614579
Molecular FormulaC33H31N3O4
Molecular Weight533.63 g/mol
Exact Mass533.23
IUPAC Name2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide
SMILESO=C(N[C@H](CO)Cc1cccc2ccccc12)c1cccc(C(=O)N[C@H](CO)Cc2cccc3ccccc23)n1
InChIInChI=1S/C33H31N3O4/c37-20-26(18-24-12-5-10-22-8-1-3-14-28(22)24)34-32(39)30-16-7-17-31(36-30)33(40)35-27(21-38)19-25-13-6-11-23-9-2-4-15-29(23)25/h1-17,26-27,37-38H,18-21H2,(H,34,39)(H,35,40)/t26-,27-/m0/s1
InChIKeyGROJXOXEVHFAHT-SVBPBHIXSA-N
XLogP4.05
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.63
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673906
3-(iodoamino)-4-naphthalen-1-ylbutanoic acid
CID 166792226
N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 19593545
tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane
CID 70370260
(3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid
CID 166000608
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 62239936
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide
CID 62097513
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide
CID 22457897
1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea
CID 110892453

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide (CID 71614579) is 2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide is O=C(N[C@H](CO)Cc1cccc2ccccc12)c1cccc(C(=O)N[C@H](CO)Cc2cccc3ccccc23)n1.
What is the InChIKey of 2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide?
The InChIKey is GROJXOXEVHFAHT-SVBPBHIXSA-N. The full InChI is InChI=1S/C33H31N3O4/c37-20-26(18-24-12-5-10-22-8-1-3-14-28(22)24)34-32(39)30-16-7-17-31(36-30)33(40)35-27(21-38)19-25-13-6-11-23-9-2-4-15-29(23)25/h1-17,26-27,37-38H,18-21H2,(H,34,39)(H,35,40)/t26-,27-/m0/s1.
What are the key properties of 2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide has a molecular weight of 533.63 g/mol, XLogP of 4.05, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 71614579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).