(2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide

C19H24N4O2 — CID 75529280

IUPAC(2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide
SMILESCc1ccc2c(n1)N(C)[C@H](CO)CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C19H24N4O2/c1-14-8-9-15-12-23(19(25)21-16-6-4-3-5-7-16)11-10-17(13-24)22(2)18(15)20-14/h3-9,17,24H,10-13H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyPRPAFDHOMFODNP-KRWDZBQOSA-N
MW340.43 g/mol
LogP2.62
Rot. Bonds2

About (2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide

(2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide (PubChem CID 75529280) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide
PubChem CID75529280
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide
SMILESCc1ccc2c(n1)N(C)[C@H](CO)CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C19H24N4O2/c1-14-8-9-15-12-23(19(25)21-16-6-4-3-5-7-16)11-10-17(13-24)22(2)18(15)20-14/h3-9,17,24H,10-13H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyPRPAFDHOMFODNP-KRWDZBQOSA-N
XLogP2.62
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide (CID 75529280) is (2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide is Cc1ccc2c(n1)N(C)[C@H](CO)CCN(C(=O)Nc1ccccc1)C2.
What is the InChIKey of (2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide?
The InChIKey is PRPAFDHOMFODNP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-8-9-15-12-23(19(25)21-16-6-4-3-5-7-16)11-10-17(13-24)22(2)18(15)20-14/h3-9,17,24H,10-13H2,1-2H3,(H,21,25)/t17-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide?
(2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-1,9-dimethyl-N-phenyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocine-5-carboxamide is sourced from PubChem (CID 75529280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).